N-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)acetamide
Chemical Structure Depiction of
N-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)acetamide
N-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)acetamide
Compound characteristics
| Compound ID: | L150-1065 |
| Compound Name: | N-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)acetamide |
| Molecular Weight: | 282.75 |
| Molecular Formula: | C11 H11 Cl N4 O S |
| Smiles: | CC(Nc1nc(n[nH]1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.93 |
| logD: | 1.884 |
| logSw: | -2.8924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.141 |
| InChI Key: | DZMPPBXUUGHKDE-UHFFFAOYSA-N |