N-(3-chloro-4-methylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chloro-4-methylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3922 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 389.9 |
| Molecular Formula: | C18 H20 Cl N5 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(Cc2cccn2C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6531 |
| logD: | 3.6529 |
| logSw: | -3.8591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.074 |
| InChI Key: | SBAZMCBPJLSFBI-UHFFFAOYSA-N |