N-(5-chloro-2-methoxyphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7789 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C16 H16 Cl N5 O2 S |
| Smiles: | Cc1nnc(n1n1cccc1)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1774 |
| logD: | 2.1738 |
| logSw: | -3.2044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.277 |
| InChI Key: | BAKMIGSNWJNUSK-UHFFFAOYSA-N |