4-{[2-{[1-(3-methoxyanilino)-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-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-7228 |
| Compound Name: | 4-{[2-{[1-(3-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 586.71 |
| Molecular Formula: | C32 H34 N4 O5 S |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NCC1CCCO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2904 |
| logD: | 4.2904 |
| logSw: | -4.2994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.745 |
| InChI Key: | DNJBEDIKXDYTJC-UHFFFAOYSA-N |