(3-bromophenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(3-bromophenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone
(3-bromophenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | 4327-0166 |
| Compound Name: | (3-bromophenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 569.45 |
| Molecular Formula: | C27 H29 Br N4 O5 |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2cccc(c2)[Br])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.381 |
| logD: | 4.381 |
| logSw: | -4.3838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.867 |
| InChI Key: | YQRLGTXVPZMNHY-UHFFFAOYSA-N |