4-{[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7217 |
| Compound Name: | 4-{[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 592.51 |
| Molecular Formula: | C29 H26 Br N3 O4 S |
| Smiles: | C1CC(CNC(c2ccc(CN3C(=Nc4ccccc4C3=O)SCC(c3ccc(cc3)[Br])=O)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1742 |
| logD: | 4.1742 |
| logSw: | -4.388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.086 |
| InChI Key: | VUFHBSODVBQAPF-HSZRJFAPSA-N |