N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methoxybenzamide
N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | C301-9429 |
| Compound Name: | N-{2-[(1-benzyl-3-chloro-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-3-methoxybenzamide |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C23 H19 Cl N4 O2 S |
| Smiles: | COc1cccc(c1)C(Nc1ccccc1Sc1nc(nn1Cc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1171 |
| logD: | 5.1171 |
| logSw: | -5.5934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.006 |
| InChI Key: | RDMVTLNQRRNRJL-UHFFFAOYSA-N |