4-{[2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0096 |
| Compound Name: | 4-{[2-{[(4-ethenylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C28 H27 N3 O2 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCc2ccc(C=C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7354 |
| logD: | 4.7354 |
| logSw: | -4.4092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.43 |
| InChI Key: | VBYLJDFAIPKYCQ-UHFFFAOYSA-N |