methyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
methyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | F882-0267 |
| Compound Name: | methyl 4-[(2-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | CC1C=CC2=NC(CSc3ccccc3NC(Nc3ccc(cc3)C(=O)OC)=O)=CC(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1093 |
| logD: | 4.1093 |
| logSw: | -4.3171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.251 |
| InChI Key: | JJAKSTABZMINDY-UHFFFAOYSA-N |