2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
Compound ID: | G856-7664 |
Compound Name: | 2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
Molecular Weight: | 313.38 |
Molecular Formula: | C15 H15 N5 O S |
Smiles: | Cc1nnc(n1n1cccc1)SCC(Nc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 1.7328 |
logD: | 1.7328 |
logSw: | -2.2572 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.345 |
InChI Key: | DDVVJBPTWIGFNU-UHFFFAOYSA-N |