2-{[3-(azepane-1-sulfonyl)-4-methylphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[3-(azepane-1-sulfonyl)-4-methylphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{[3-(azepane-1-sulfonyl)-4-methylphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | F383-0061 |
| Compound Name: | 2-{[3-(azepane-1-sulfonyl)-4-methylphenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 418.55 |
| Molecular Formula: | C22 H30 N2 O4 S |
| Smiles: | Cc1ccc(CN2C(C3CCCCC3C2=O)=O)cc1S(N1CCCCCC1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4643 |
| logD: | 3.4643 |
| logSw: | -3.7432 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.725 |
| InChI Key: | QEYRJOVVKZMQRA-UHFFFAOYSA-N |