N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3,4-dichlorophenyl)urea
Chemical Structure Depiction of
N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3,4-dichlorophenyl)urea
N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3,4-dichlorophenyl)urea
Compound characteristics
| Compound ID: | V015-1490 |
| Compound Name: | N-{1-[5-(benzylsulfanyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}-N'-(3,4-dichlorophenyl)urea |
| Molecular Weight: | 588.56 |
| Molecular Formula: | C31 H27 Cl2 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C(Cc2ccccc2)NC(Nc2ccc(c(c2)[Cl])[Cl])=O)nnc1SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.744 |
| logD: | 7.7433 |
| logSw: | -6.3861 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.968 |
| InChI Key: | AUUPGBDDHAIABW-NDEPHWFRSA-N |