4-butyl-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide
4-butyl-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | F880-0627 |
| Compound Name: | 4-butyl-N-(2-{[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C27 H33 N3 O2 S |
| Smiles: | CCCCC1CCC(CC1)C(Nc1ccccc1SCC1=CC(N2C=CC=C(C)C2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6487 |
| logD: | 5.6487 |
| logSw: | -5.426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.56 |
| InChI Key: | XVZVXXXBXWMHMC-UHFFFAOYSA-N |