N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]furan-2-carboxamide
N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | F938-0192 |
| Compound Name: | N-[2-({3-chloro-1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C21 H17 Cl N4 O2 S |
| Smiles: | Cc1ccc(Cn2c(nc(n2)[Cl])Sc2ccccc2NC(c2ccco2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7508 |
| logD: | 4.7508 |
| logSw: | -4.7288 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.041 |
| InChI Key: | VPKFMBQTEDZWET-UHFFFAOYSA-N |