N-(3,5-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,5-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7662 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 327.41 |
| Molecular Formula: | C16 H17 N5 O S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nncn1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5536 |
| logD: | 2.5536 |
| logSw: | -2.6238 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | SWXWHGHUGHDWDI-UHFFFAOYSA-N |