N-(4-acetylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7874 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(C2CCCCC2)n1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.715 |
| logD: | 3.7148 |
| logSw: | -3.8095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.315 |
| InChI Key: | PDMFKSZXTKCTGS-UHFFFAOYSA-N |