N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7661 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 347.82 |
| Molecular Formula: | C15 H14 Cl N5 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nncn1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2508 |
| logD: | 3.2506 |
| logSw: | -3.4779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | YHRLPWNAHRGJFK-UHFFFAOYSA-N |