N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F938-0212 |
| Compound Name: | N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 478.96 |
| Molecular Formula: | C24 H19 Cl N4 O3 S |
| Smiles: | Cc1ccc(Cn2c(nc(n2)[Cl])Sc2ccccc2NC(c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4007 |
| logD: | 5.4007 |
| logSw: | -5.9314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.578 |
| InChI Key: | JPCQYFCUPVQQFU-UHFFFAOYSA-N |