4-{[2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7252 |
| Compound Name: | 4-{[2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 520.05 |
| Molecular Formula: | C28 H26 Cl N3 O3 S |
| Smiles: | C1CC(CNC(c2ccc(CN3C(=Nc4ccccc4C3=O)SCc3cccc(c3)[Cl])cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4706 |
| logD: | 4.4706 |
| logSw: | -4.6126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.839 |
| InChI Key: | NGMJVEJBAHMPBP-HSZRJFAPSA-N |