2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-(1-phenylbutan-2-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-(1-phenylbutan-2-yl)quinazolin-4(3H)-one
2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-(1-phenylbutan-2-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-2383 |
| Compound Name: | 2-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-3-(1-phenylbutan-2-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 503.02 |
| Molecular Formula: | C27 H23 Cl N4 O2 S |
| Smiles: | CCC(Cc1ccccc1)N1C(=Nc2ccccc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4442 |
| logD: | 4.4442 |
| logSw: | -4.6545 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.166 |
| InChI Key: | RPXGKTBLNAFQQD-NRFANRHFSA-N |