N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide
N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | F880-0262 |
| Compound Name: | N-(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 439.89 |
| Molecular Formula: | C22 H15 Cl F N3 O2 S |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)Sc1ccccc1NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4232 |
| logD: | 3.422 |
| logSw: | -4.0856 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.866 |
| InChI Key: | MQRNTDKHVHITLQ-UHFFFAOYSA-N |