N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-ethylbutanamide
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-ethylbutanamide
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-ethylbutanamide
Compound characteristics
| Compound ID: | F880-0278 |
| Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-2-ethylbutanamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CCC(CC)C(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4829 |
| logD: | 3.4829 |
| logSw: | -3.7238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.137 |
| InChI Key: | IICLLHOGTMSKNU-UHFFFAOYSA-N |