N-(4-ethylphenyl)-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-(4-ethylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-ethylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3912 |
| Compound Name: | N-(4-ethylphenyl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C19 H23 N5 O S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1935 |
| logD: | 3.1935 |
| logSw: | -3.3857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.074 |
| InChI Key: | MASBTKVWRILIGL-UHFFFAOYSA-N |