N-[2-({3-chloro-1-[(4-fluorophenyl)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-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F938-0071 |
| Compound Name: | N-[2-({3-chloro-1-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}sulfanyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 482.92 |
| Molecular Formula: | C23 H16 Cl F N4 O3 S |
| Smiles: | C(c1ccc(cc1)F)n1c(nc(n1)[Cl])Sc1ccccc1NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0064 |
| logD: | 5.0064 |
| logSw: | -5.3181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.578 |
| InChI Key: | SOKOFNKMEWMRKC-UHFFFAOYSA-N |