4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4596 |
| Compound Name: | 4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 634.58 |
| Molecular Formula: | C32 H29 Cl2 N5 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9942 |
| logD: | 4.9941 |
| logSw: | -4.9621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.882 |
| InChI Key: | XGAIBAHPDDNJBX-UHFFFAOYSA-N |