methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2055 |
| Compound Name: | methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 621.71 |
| Molecular Formula: | C32 H35 N3 O8 S |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2c1)SCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0463 |
| logD: | 3.0463 |
| logSw: | -3.4674 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.758 |
| InChI Key: | PXBXWJHLNZWISF-UHFFFAOYSA-N |