3-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
3-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
Compound characteristics
| Compound ID: | 8017-0034 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole |
| Molecular Weight: | 495.47 |
| Molecular Formula: | C23 H17 N3 O8 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(=C/c2ccc3c(c2)OCO3)\c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7682 |
| logD: | 4.7682 |
| logSw: | -4.8273 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 114.996 |
| InChI Key: | LYDNWLAWHDMEPR-UHFFFAOYSA-N |