2-[4-(3-{[2-(4-chlorophenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
Chemical Structure Depiction of
2-[4-(3-{[2-(4-chlorophenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
2-[4-(3-{[2-(4-chlorophenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
Compound characteristics
| Compound ID: | 2023-0497 |
| Compound Name: | 2-[4-(3-{[2-(4-chlorophenoxy)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C20 H25 Cl N4 O4 |
| Smiles: | C(COc1ccc(cc1)[Cl])Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 3.7211 |
| logD: | 3.5601 |
| logSw: | -4.1443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.013 |
| InChI Key: | OVHPUJQKOYXOCV-UHFFFAOYSA-N |