3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | 8012-1163 |
| Compound Name: | 3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one |
| Molecular Weight: | 525.43 |
| Molecular Formula: | C27 H26 Cl2 N4 O3 |
| Smiles: | C(CNc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(/C=C/c1ccc(cc1[Cl])[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1755 |
| logD: | 6.1755 |
| logSw: | -6.236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.078 |
| InChI Key: | TUGADZLWLNPMDV-UHFFFAOYSA-N |