methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2068 |
| Compound Name: | methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 632.74 |
| Molecular Formula: | C33 H36 N4 O7 S |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(c(c3)OC)OC)C(=Nc2c1)SCC(N1CCN(CC1)c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9721 |
| logD: | 3.972 |
| logSw: | -4.0857 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.166 |
| InChI Key: | DNVBXWWYNFPLCJ-UHFFFAOYSA-N |