3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C191-0328 |
| Compound Name: | 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 515.01 |
| Molecular Formula: | C26 H31 Cl N4 O5 |
| Smiles: | COc1cc2C(N(CCCCCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4972 |
| logD: | 3.481 |
| logSw: | -3.8068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.372 |
| InChI Key: | BKKKZOCUVROKPW-UHFFFAOYSA-N |