[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](3-fluorophenyl)methanone
Chemical Structure Depiction of
[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](3-fluorophenyl)methanone
[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](3-fluorophenyl)methanone
Compound characteristics
| Compound ID: | 3610-1257 |
| Compound Name: | [4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](3-fluorophenyl)methanone |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C27 H29 F N4 O5 |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(c2cccc(c2)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6549 |
| logD: | 3.6549 |
| logSw: | -4.0843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.867 |
| InChI Key: | OCPJWLIIMOOVGL-UHFFFAOYSA-N |