rel-(3aR,7aS)-2-{[3-(4-ethylpiperazine-1-sulfonyl)-4-methoxyphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-{[3-(4-ethylpiperazine-1-sulfonyl)-4-methoxyphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-{[3-(4-ethylpiperazine-1-sulfonyl)-4-methoxyphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | F383-0949 |
| Compound Name: | rel-(3aR,7aS)-2-{[3-(4-ethylpiperazine-1-sulfonyl)-4-methoxyphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CCN1CCN(CC1)S(c1cc(CN2C([C@H]3CCCC[C@H]3C2=O)=O)ccc1OC)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.6768 |
| logD: | 1.5901 |
| logSw: | -2.6699 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.562 |
| InChI Key: | VSEAMJWXRRPSKH-UHFFFAOYSA-N |