4-{[2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0100 |
| Compound Name: | 4-{[2-{[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 546.65 |
| Molecular Formula: | C29 H30 N4 O5 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(c(c2)OC)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3514 |
| logD: | 3.3514 |
| logSw: | -3.7995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.84 |
| InChI Key: | MZKOVMKHTRWRRD-UHFFFAOYSA-N |