2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 3448-3245 |
| Compound Name: | 2-{[6-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C22 H18 N4 O6 S2 |
| Smiles: | C1CC(CNC(CSc2nc3ccc(cc3s2)N2C(c3ccc(cc3C2=O)[N+]([O-])=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8951 |
| logD: | 2.8951 |
| logSw: | -3.5266 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.197 |
| InChI Key: | HUFJPMJOCCQIGP-CQSZACIVSA-N |