ethyl 2-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 2-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
ethyl 2-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | F882-0161 |
| Compound Name: | ethyl 2-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C25 H21 Cl N4 O4 S |
| Smiles: | CCOC(c1ccccc1NC(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1165 |
| logD: | 4.116 |
| logSw: | -4.4565 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.133 |
| InChI Key: | MEDFFLVQCIYTLP-UHFFFAOYSA-N |