4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4495 |
| Compound Name: | 4-{[4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}quinazolin-3(4H)-yl]methyl}-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 579.72 |
| Molecular Formula: | C33 H33 N5 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=CC=CC2=N1)=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1906 |
| logD: | 4.1906 |
| logSw: | -4.5323 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.204 |
| InChI Key: | XHMAOLQMGOPDGN-UHFFFAOYSA-N |