N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
N-(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | F880-0448 |
| Compound Name: | N-(2-{[(7-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=CC2=NC(CSc3ccccc3NC(C3CCCCC3)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7691 |
| logD: | 3.7691 |
| logSw: | -3.9007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.058 |
| InChI Key: | GVAHSVJQRALBGG-UHFFFAOYSA-N |