methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2058 |
| Compound Name: | methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 568.05 |
| Molecular Formula: | C28 H26 Cl N3 O6 S |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2c1)SCC(Nc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.124 |
| logD: | 4.1239 |
| logSw: | -4.3933 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.636 |
| InChI Key: | SZIJUKKERCZTCE-UHFFFAOYSA-N |