3-(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)benzonitrile
3-(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | V006-2663 |
| Compound Name: | 3-(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 526.05 |
| Molecular Formula: | C27 H28 Cl N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)S(c1cccc(C#N)c1)(=O)=O)OCc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5632 |
| logD: | 4.5625 |
| logSw: | -4.7201 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.97 |
| InChI Key: | GQFHMJOOENJVEX-MHZLTWQESA-N |