| Drug Name |
L-162234
|
| Synonyms |
CHEMBL292150; L-162234; SCHEMBL9377635; IVFMKMCSJZZCKV-UHFFFAOYSA-N; BDBM50035451; L008869; 5-n-Butyl-4-[[2''-[N-(tert-butoxycarbonyl)sulfamoyl]biphenyl-4yl]methyl]-2-[2-trifluoromethyl-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one; 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid amide-N-carbonyoxylterbutyl; 4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2-tert-butoxycarbonyl)amide
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 3 |
Molecular Weight (mw) |
630.7 |
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| Logarithm of the Partition Coefficient (xlogp) |
6.6 |
| Rotatable Bond Count (rotbonds) |
11 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C31H33F3N4O5S
- IUPAC Name
tert-butyl N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate - Canonical SMILES
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CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C)C4=CC=CC=C4C(F)(F)F
- InChI
-
InChI=1S/C31H33F3N4O5S/c1-5-6-15-27-35-38(25-13-9-8-12-24(25)31(32,33)34)29(40)37(27)20-21-16-18-22(19-17-21)23-11-7-10-14-26(23)44(41,42)36-28(39)43-30(2,3)4/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,36,39)
- InChIKey
-
IVFMKMCSJZZCKV-UHFFFAOYSA-N
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| Cross-matching ID |
- PubChem CID
- 9830680
- TTD ID
- D09TED
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