4-{[2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-6-bromo-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-6-bromo-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-6-bromo-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | K284-4171 |
| Compound Name: | 4-{[2-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-6-bromo-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 610.53 |
| Molecular Formula: | C29 H28 Br N3 O5 S |
| Smiles: | CC(c1ccc(c(CSC2=Nc3ccc(cc3C(N2Cc2ccc(cc2)C(NCCOC)=O)=O)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.542 |
| logD: | 4.542 |
| logSw: | -4.3696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.097 |
| InChI Key: | FWHVKHAORBNPMR-UHFFFAOYSA-N |