2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4679 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 655.22 |
| Molecular Formula: | C35 H35 Cl N6 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7605 |
| logD: | 4.7605 |
| logSw: | -4.9237 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.377 |
| InChI Key: | OAPOYPCEMWSOAI-UHFFFAOYSA-N |