N-(3-acetylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-acetylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7701 |
| Compound Name: | N-(3-acetylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | CCc1nnc(n1n1cccc1)SCC(Nc1cccc(c1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2956 |
| logD: | 2.2955 |
| logSw: | -2.8576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.37 |
| InChI Key: | ZRDOFHDPHAWNNC-UHFFFAOYSA-N |