2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0727-0011 |
| Compound Name: | 2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)CN1C(c2ccccc2C1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5374 |
| logD: | 2.5374 |
| logSw: | -2.8496 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.436 |
| InChI Key: | CEZOWORZQXHVFE-UHFFFAOYSA-N |