dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | C200-1904 |
| Compound Name: | dimethyl 2-[(4-{2-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]ethyl}piperazine-1-carbothioyl)amino]benzene-1,4-dicarboxylate |
| Molecular Weight: | 599.68 |
| Molecular Formula: | C27 H29 N5 O7 S2 |
| Smiles: | COC(c1ccc2C(N(CCN3CCN(CC3)C(Nc3cc(ccc3C(=O)OC)C(=O)OC)=S)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6883 |
| logD: | 3.5507 |
| logSw: | -3.9397 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.809 |
| InChI Key: | CZIVVNFQPNJFSO-UHFFFAOYSA-N |