N-cyclopentyl-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-cyclopentyl-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-cyclopentyl-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0130 |
| Compound Name: | N-cyclopentyl-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(NC1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6995 |
| logD: | 3.6995 |
| logSw: | -3.8764 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.149 |
| InChI Key: | HHCJTUOGDLFJGG-UHFFFAOYSA-N |