6-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-(2-phenylethyl)-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-phenylethyl)-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-phenylethyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | K284-6123 |
| Compound Name: | 6-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-(2-phenylethyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 563.43 |
| Molecular Formula: | C26 H19 Br N4 O4 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2622 |
| logD: | 4.2622 |
| logSw: | -4.3704 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.37 |
| InChI Key: | BWXWGPGCBQAXNM-UHFFFAOYSA-N |