4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K284-7379 |
| Compound Name: | 4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C28 H37 N5 O4 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(NCCCN3CCN(C)CC3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9366 |
| logD: | 0.7863 |
| logSw: | -2.9387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.452 |
| InChI Key: | JJECIRUBTSMJHO-UHFFFAOYSA-N |