N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-5489 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]propanamide |
| Molecular Weight: | 624.47 |
| Molecular Formula: | C28 H22 Br N3 O7 S |
| Smiles: | C(CN1C(=Nc2cc3c(cc2C1=O)OCO3)SCC(c1ccc(cc1)[Br])=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7499 |
| logD: | 4.7499 |
| logSw: | -4.65 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.699 |
| InChI Key: | QRIOFIXJGPKSAL-UHFFFAOYSA-N |