6,7-dimethoxy-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
6,7-dimethoxy-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}quinazoline-2,4(1H,3H)-dione
6,7-dimethoxy-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C191-0349 |
| Compound Name: | 6,7-dimethoxy-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 525.56 |
| Molecular Formula: | C26 H31 N5 O7 |
| Smiles: | COc1cc2C(N(CCCCCC(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9608 |
| logD: | 2.9446 |
| logSw: | -3.5261 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.754 |
| InChI Key: | RLRGZJHAQSCRBO-UHFFFAOYSA-N |