6-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-5107 |
| Compound Name: | 6-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-[2-(cyclohex-1-en-1-yl)ethyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 567.46 |
| Molecular Formula: | C26 H23 Br N4 O4 S |
| Smiles: | C1CCC(CCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC2=CC(N3C=C(C=CC3=N2)[Br])=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5182 |
| logD: | 4.5182 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.563 |
| InChI Key: | RAPBVSZJOGKJCY-UHFFFAOYSA-N |