N-(3-nitrophenyl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)piperazine-1-carboxamide
N-(3-nitrophenyl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y206-5978 |
| Compound Name: | N-(3-nitrophenyl)-4-({4-[(propan-2-yl)oxy]phenyl}methyl)piperazine-1-carboxamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | CC(C)Oc1ccc(CN2CCN(CC2)C(Nc2cccc(c2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5129 |
| logD: | 3.3352 |
| logSw: | -3.6896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.432 |
| InChI Key: | WDIXTIQIUUGJTE-UHFFFAOYSA-N |