2-[(4-cyclohexyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[(4-cyclohexyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
2-[(4-cyclohexyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | 8018-6713 |
| Compound Name: | 2-[(4-cyclohexyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | C1CCC(CC1)N1C(=NNC1=O)SCC(NCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9606 |
| logD: | 2.9481 |
| logSw: | -3.2727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.678 |
| InChI Key: | VHDBAUCPKZUFRN-UHFFFAOYSA-N |