N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | F880-0534 |
| Compound Name: | N-(2-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C23 H25 N3 O2 S |
| Smiles: | CC1C=CN2C(C=1)=NC(CSc1ccccc1NC(C1CCCCC1)=O)=CC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.7151 |
| logD: | 3.7151 |
| logSw: | -3.9102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.539 |
| InChI Key: | GRNIPNQSNYKBDX-UHFFFAOYSA-N |