methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2074 |
| Compound Name: | methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C23 H22 Cl N3 O5 S |
| Smiles: | COC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(Nc1ccccc1[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9506 |
| logD: | 2.9505 |
| logSw: | -3.5734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.051 |
| InChI Key: | AZNHSZRQYCDESQ-OAHLLOKOSA-N |