| Drug Name |
US9694002, 59
|
| Synonyms |
SCHEMBL15535893; BDBM70886; YUDSOPSBYJDZMS-UHFFFAOYSA-N; US9694002, 59; 4-((1-benzhydrylazetidin-3-yl)methoxy)-5-chloro-2-fluoro-N-(methylsulfonyl)benzamide |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
503 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.7 |
| Rotatable Bond Count (rotbonds) |
8 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C25H24ClFN2O4S
- IUPAC Name
4-[(1-benzhydrylazetidin-3-yl)methoxy]-5-chloro-2-fluoro-N-methylsulfonylbenzamide - Canonical SMILES
-
CS(=O)(=O)NC(=O)C1=CC(=C(C=C1F)OCC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl
- InChI
-
InChI=1S/C25H24ClFN2O4S/c1-34(31,32)28-25(30)20-12-21(26)23(13-22(20)27)33-16-17-14-29(15-17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,17,24H,14-16H2,1H3,(H,28,30)
- InChIKey
-
YUDSOPSBYJDZMS-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 86703776
- TTD ID
- D05HMS
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