N-(5-chloro-2-methoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9699 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C19 H16 Cl N5 O2 S2 |
| Smiles: | COc1ccc(cc1NC(CSc1nnc(c2cccs2)n1n1cccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9342 |
| logD: | 3.9305 |
| logSw: | -4.338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.247 |
| InChI Key: | PYCKSUHKXMVWQI-UHFFFAOYSA-N |