2-[4-(3-{[2-(3-methylphenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
Chemical Structure Depiction of
2-[4-(3-{[2-(3-methylphenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
2-[4-(3-{[2-(3-methylphenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
Compound characteristics
| Compound ID: | 2369-0674 |
| Compound Name: | 2-[4-(3-{[2-(3-methylphenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | Cc1cccc(c1)OCCNc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.6176 |
| logD: | 3.4567 |
| logSw: | -3.8355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | DREQRVVOFYKFNV-UHFFFAOYSA-N |