{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone
{4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y205-7364 |
| Compound Name: | {4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl}(4-methoxy-3-nitrophenyl)methanone |
| Molecular Weight: | 407.83 |
| Molecular Formula: | C19 H19 Cl F N3 O4 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7117 |
| logD: | 2.7099 |
| logSw: | -3.4158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.138 |
| InChI Key: | RGIBZWINOIYRQL-UHFFFAOYSA-N |