methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2060 |
| Compound Name: | methyl 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 593.66 |
| Molecular Formula: | C30 H31 N3 O8 S |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2c1)SCC(Nc1ccc(cc1OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8184 |
| logD: | 3.8183 |
| logSw: | -4.0032 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.81 |
| InChI Key: | BKWNDNFMDYHCNQ-UHFFFAOYSA-N |