2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G856-7803 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1n1cccc1)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7516 |
| logD: | 3.7516 |
| logSw: | -4.0562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.84 |
| InChI Key: | HBSBAOKSENYSJC-UHFFFAOYSA-N |