6,7-dimethoxy-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
6,7-dimethoxy-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione
6,7-dimethoxy-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C191-0167 |
| Compound Name: | 6,7-dimethoxy-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C24 H27 N5 O7 |
| Smiles: | COc1cc2C(N(CCCC(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9507 |
| logD: | 1.9345 |
| logSw: | -2.8756 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.754 |
| InChI Key: | NUZVTYXYWMRKAL-UHFFFAOYSA-N |