3-cyclopentyl-1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-cyclopentyl-1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]propan-1-one
3-cyclopentyl-1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | 8012-8464 |
| Compound Name: | 3-cyclopentyl-1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 510.63 |
| Molecular Formula: | C28 H38 N4 O5 |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)C(CCC2CCCC2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1939 |
| logD: | 4.1939 |
| logSw: | -4.4278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.897 |
| InChI Key: | BRIMCJVVCVMDCN-UHFFFAOYSA-N |