2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide
Compound characteristics
| Compound ID: | C592-2645 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclohexylacetamide |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C23 H29 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1Cc1ccccc1)SCC(NC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9374 |
| logD: | 3.9374 |
| logSw: | -3.8635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.04 |
| InChI Key: | VBBSOVLZBDWLHQ-UHFFFAOYSA-N |