N-(3-chlorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9722 |
| Compound Name: | N-(3-chlorophenyl)-2-{[5-(3-methylphenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 423.92 |
| Molecular Formula: | C21 H18 Cl N5 O S |
| Smiles: | Cc1cccc(c1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0838 |
| logD: | 5.0837 |
| logSw: | -5.2863 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.296 |
| InChI Key: | UCNKXRZMCBQICF-UHFFFAOYSA-N |