6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5938 |
| Compound Name: | 6-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 658.74 |
| Molecular Formula: | C36 H30 N6 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=CC=CC3=N2)=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3768 |
| logD: | 4.3768 |
| logSw: | -4.3635 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.782 |
| InChI Key: | YUSHZUAHIAIMAX-UHFFFAOYSA-N |