4-{[6,7-dimethoxy-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-methylbenzamide
Chemical Structure Depiction of
4-{[6,7-dimethoxy-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-methylbenzamide
4-{[6,7-dimethoxy-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-methylbenzamide
Compound characteristics
| Compound ID: | G345-0216 |
| Compound Name: | 4-{[6,7-dimethoxy-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}-N-methylbenzamide |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C28 H28 N4 O6 S |
| Smiles: | CNC(c1ccc(CN2C(c3cc(c(cc3N(CC(Nc3cccc(c3)SC)=O)C2=O)OC)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4786 |
| logD: | 3.4786 |
| logSw: | -3.8586 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.512 |
| InChI Key: | LGHWJLQQOPUDKD-UHFFFAOYSA-N |