4-{[6-bromo-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[6-bromo-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[6-bromo-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | K284-4164 |
| Compound Name: | 4-{[6-bromo-4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 609.54 |
| Molecular Formula: | C29 H29 Br N4 O4 S |
| Smiles: | COCCNC(c1ccc(CN2C(=Nc3ccc(cc3C2=O)[Br])SCC(NCCc2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7156 |
| logD: | 3.7156 |
| logSw: | -3.9782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.953 |
| InChI Key: | IFUHIPJXRQSGPH-UHFFFAOYSA-N |