N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | F880-0706 |
| Compound Name: | N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | C1CCC(CC1)C(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4028 |
| logD: | 3.4028 |
| logSw: | -3.6462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.539 |
| InChI Key: | NKAAHJSMXBQBDV-UHFFFAOYSA-N |