3-(4-{2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile
3-(4-{2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0939 |
| Compound Name: | 3-(4-{2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl}piperazine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C27 H28 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(COC(CN2CCN(CC2)S(c2cccc(C#N)c2)(=O)=O)c2ccc(cc2)[Cl])c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0468 |
| logD: | 5.0456 |
| logSw: | -5.3197 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.426 |
| InChI Key: | XRVOASNPFINXFC-MHZLTWQESA-N |