ethyl 4-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
ethyl 4-[(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | F882-0403 |
| Compound Name: | ethyl 4-[(2-{[(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: | CCOC(c1ccc(cc1)NC(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2537 |
| logD: | 4.2537 |
| logSw: | -4.1777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.312 |
| InChI Key: | QZWXJTZYQMQLJV-UHFFFAOYSA-N |