4-{[6-bromo-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[6-bromo-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[6-bromo-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | K284-4160 |
| Compound Name: | 4-{[6-bromo-2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 625.54 |
| Molecular Formula: | C29 H29 Br N4 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccc(cc2C(N1Cc1ccc(cc1)C(NCCOC)=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6286 |
| logD: | 4.6286 |
| logSw: | -4.3385 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.913 |
| InChI Key: | PWBFPLXBLHHCQG-UHFFFAOYSA-N |