rel-(1R,4S)-1-[(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Chemical Structure Depiction of
rel-(1R,4S)-1-[(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
rel-(1R,4S)-1-[(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Compound characteristics
| Compound ID: | V004-4763 |
| Compound Name: | rel-(1R,4S)-1-[(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazine-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one |
| Molecular Weight: | 575.17 |
| Molecular Formula: | C30 H39 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | [H][C@]12CC[C@](CS(N3CCN(CC3)CC(c3cccc(c3)OC)OCc3cccc(c3)[Cl])(=O)=O)(C(C1)=O)C2(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1387 |
| logD: | 5.1381 |
| logSw: | -5.5836 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.901 |
| InChI Key: | KANFTCWOPLOBPA-ZELULNAYSA-N |