N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | C301-9427 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 464.93 |
| Molecular Formula: | C23 H17 Cl N4 O3 S |
| Smiles: | C(c1ccccc1)n1c(nc(n1)[Cl])Sc1ccccc1NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9774 |
| logD: | 4.9774 |
| logSw: | -5.2878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.578 |
| InChI Key: | KUCDJDPDHRAOKH-UHFFFAOYSA-N |