4-(methanesulfonyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Chemical Structure Depiction of
4-(methanesulfonyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
4-(methanesulfonyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 6199-3431 |
| Compound Name: | 4-(methanesulfonyl)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid |
| Molecular Weight: | 356.31 |
| Molecular Formula: | C13 H12 N2 O8 S |
| Smiles: | CS(CCC(C(O)=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.3714 |
| logD: | -5.5298 |
| logSw: | -2.3163 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.19 |
| InChI Key: | OHLPHVAGZZSLMY-VIFPVBQESA-N |