4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | G629-0216 |
| Compound Name: | 4-{[2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C31 H34 N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(C)c(C)c2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6763 |
| logD: | 5.6763 |
| logSw: | -5.3536 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.447 |
| InChI Key: | LPDHKXOGMYMNLB-UHFFFAOYSA-N |