4-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
4-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-3790 |
| Compound Name: | 4-[2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C25 H27 Cl N4 O4 S |
| Smiles: | C(CC(NCC1CCCO1)=O)CN1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5612 |
| logD: | 1.5611 |
| logSw: | -2.9314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.327 |
| InChI Key: | MBFZHDMONBYRKK-QGZVFWFLSA-N |