N-benzyl-4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4702 |
| Compound Name: | N-benzyl-4-{[2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 600.14 |
| Molecular Formula: | C32 H30 Cl N5 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2121 |
| logD: | 4.2121 |
| logSw: | -4.5788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.882 |
| InChI Key: | KAZBSAJJDZDBLQ-UHFFFAOYSA-N |