2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-5897 |
| Compound Name: | 2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C21 H20 Cl N7 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nnc(Cn2c3ccccc3nn2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2935 |
| logD: | 3.2903 |
| logSw: | -3.4631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.344 |
| InChI Key: | HGGTZNAFVIWVFA-UHFFFAOYSA-N |