2-ethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)butanamide
Chemical Structure Depiction of
2-ethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)butanamide
2-ethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)butanamide
Compound characteristics
| Compound ID: | F880-0708 |
| Compound Name: | 2-ethyl-N-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)butanamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CCC(CC)C(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2878 |
| logD: | 3.2878 |
| logSw: | -3.3887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.618 |
| InChI Key: | OTNMBIIYGSBMDU-UHFFFAOYSA-N |