| Drug Name |
N-arylmethyl-N-phenyl cyclic urea derivative 1
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| Synonyms |
PMID28270010-Compound-Figure25-1 |
| 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): 0 |
Molecular Weight (mw) |
487.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.8 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C23H20F3N5O2S
- IUPAC Name
5,5-dimethyl-1-[[2-(pyridin-2-ylamino)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione - Canonical SMILES
-
CC1(C(=O)N(C(=O)N1CC2=CC(=NC=C2)NC3=CC=CC=N3)C4=CC=C(C=C4)SC(F)(F)F)C
- InChI
-
InChI=1S/C23H20F3N5O2S/c1-22(2)20(32)31(16-6-8-17(9-7-16)34-23(24,25)26)21(33)30(22)14-15-10-12-28-19(13-15)29-18-5-3-4-11-27-18/h3-13H,14H2,1-2H3,(H,27,28,29)
- InChIKey
-
CYMSBDAPHJQPRL-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 59694319
- TTD ID
- D0I5DM
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