4-{[6-bromo-2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[6-bromo-2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[6-bromo-2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | K284-4161 |
| Compound Name: | 4-{[6-bromo-2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 641.54 |
| Molecular Formula: | C29 H29 Br N4 O6 S |
| Smiles: | COCCNC(c1ccc(CN2C(=Nc3ccc(cc3C2=O)[Br])SCC(Nc2cc(ccc2OC)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.943 |
| logD: | 3.9428 |
| logSw: | -4.0962 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.266 |
| InChI Key: | ZDYKFLNGLJQKRL-UHFFFAOYSA-N |