2-{3-(benzenesulfonyl)-4-methyl-5-[(2-methylpropyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{3-(benzenesulfonyl)-4-methyl-5-[(2-methylpropyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
2-{3-(benzenesulfonyl)-4-methyl-5-[(2-methylpropyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8012-6128 |
| Compound Name: | 2-{3-(benzenesulfonyl)-4-methyl-5-[(2-methylpropyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C25 H23 N O4 S2 |
| Smiles: | CC(C)CSc1cc(cc(c1C)S(c1ccccc1)(=O)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6369 |
| logD: | 5.6369 |
| logSw: | -5.4696 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.381 |
| InChI Key: | IXBBXSBHIPLYSH-UHFFFAOYSA-N |