rel-(3aR,7aS)-2-{[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | F383-0892 |
| Compound Name: | rel-(3aR,7aS)-2-{[4-methoxy-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CN1CCN(CC1)S(c1cc(CN2C([C@H]3CCCC[C@H]3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3321 |
| logD: | 1.2694 |
| logSw: | -2.5401 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.501 |
| InChI Key: | XWTJMWUHTIHIGX-UHFFFAOYSA-N |