N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3-chloro-4-fluorophenyl)urea
Chemical Structure Depiction of
N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3-chloro-4-fluorophenyl)urea
N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3-chloro-4-fluorophenyl)urea
Compound characteristics
| Compound ID: | V015-1500 |
| Compound Name: | N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3-chloro-4-fluorophenyl)urea |
| Molecular Weight: | 572.1 |
| Molecular Formula: | C31 H27 Cl F N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C(Cc2ccccc2)NC(Nc2ccc(c(c2)[Cl])F)=O)nnc1SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9999 |
| logD: | 6.9992 |
| logSw: | -6.3158 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.968 |
| InChI Key: | NZKSTXIEDDUDMP-NDEPHWFRSA-N |