2-benzyl-5-[4-(methanesulfonyl)piperazine-1-carbonyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-benzyl-5-[4-(methanesulfonyl)piperazine-1-carbonyl]-1H-isoindole-1,3(2H)-dione
2-benzyl-5-[4-(methanesulfonyl)piperazine-1-carbonyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y042-3981 |
| Compound Name: | 2-benzyl-5-[4-(methanesulfonyl)piperazine-1-carbonyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CS(N1CCN(CC1)C(c1ccc2C(N(Cc3ccccc3)C(c2c1)=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4007 |
| logD: | 1.4007 |
| logSw: | -2.49 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.422 |
| InChI Key: | WFXNYEBJCOJMSE-UHFFFAOYSA-N |