4-{[2-{[1-(3-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[2-{[1-(3-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[2-{[1-(3-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7225 |
| Compound Name: | 4-{[2-{[1-(3-methylanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C32 H34 N4 O4 S |
| Smiles: | CCC(C(Nc1cccc(C)c1)=O)SC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NCC1CCCO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5839 |
| logD: | 4.5839 |
| logSw: | -4.3351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.201 |
| InChI Key: | QZTAOTFKPRKLFJ-UHFFFAOYSA-N |