N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
Chemical Structure Depiction of
N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D439-6332 |
| Compound Name: | N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(C3CCCCC3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2886 |
| logD: | 3.2852 |
| logSw: | -3.6589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.103 |
| InChI Key: | MJFNXCDYSSBQGP-UHFFFAOYSA-N |