methyl 4-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
methyl 4-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | F882-0173 |
| Compound Name: | methyl 4-[(2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate |
| Molecular Weight: | 494.96 |
| Molecular Formula: | C24 H19 Cl N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(Nc1ccccc1SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9381 |
| logD: | 3.9381 |
| logSw: | -4.5414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.251 |
| InChI Key: | BSRLDUKDJAYZGN-UHFFFAOYSA-N |