N-(4-acetylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-acetylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-4008 |
| Compound Name: | N-(4-acetylphenyl)-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1CCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9927 |
| logD: | 1.9925 |
| logSw: | -2.3889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.412 |
| InChI Key: | XKECGGHBYQDCFL-UHFFFAOYSA-N |