2-{[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | F383-0112 |
| Compound Name: | 2-{[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]methyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | Cc1ccc(CN2C(C3CCCCC3C2=O)=O)cc1S(N1CCN(C)CC1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8728 |
| logD: | 1.8101 |
| logSw: | -2.7958 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.871 |
| InChI Key: | ZCRNKUMPGVUKAC-UHFFFAOYSA-N |