6-bromo-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-bromo-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione
6-bromo-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C190-0435 |
| Compound Name: | 6-bromo-3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 516.35 |
| Molecular Formula: | C22 H22 Br N5 O5 |
| Smiles: | C(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)CN1C(c2cc(ccc2NC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2101 |
| logD: | 3.1614 |
| logSw: | -3.6355 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.493 |
| InChI Key: | JPFOYZJVJUVPFJ-UHFFFAOYSA-N |