methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K289-0531 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 567.41 |
| Molecular Formula: | C26 H19 Br N2 O6 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2893 |
| logD: | 5.2893 |
| logSw: | -5.328 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.307 |
| InChI Key: | FWAORUDKGMWHDE-UHFFFAOYSA-N |