methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2056 |
| Compound Name: | methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C29 H29 N3 O7 S |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2c1)SCC(Nc1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1396 |
| logD: | 4.1396 |
| logSw: | -4.1984 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.877 |
| InChI Key: | UXMIRKRSQDEFOM-UHFFFAOYSA-N |