4-butyl-N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide
4-butyl-N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | F880-0283 |
| Compound Name: | 4-butyl-N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 484.06 |
| Molecular Formula: | C26 H30 Cl N3 O2 S |
| Smiles: | CCCCC1CCC(CC1)C(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4796 |
| logD: | 5.4796 |
| logSw: | -5.8118 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.058 |
| InChI Key: | NUFZOGZHXFUQNC-UHFFFAOYSA-N |