3-benzyl-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole
Chemical Structure Depiction of
3-benzyl-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole
3-benzyl-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole
Compound characteristics
| Compound ID: | 8011-7335 |
| Compound Name: | 3-benzyl-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1cc(Cc2ccccc2)c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3044 |
| logD: | 5.3044 |
| logSw: | -5.4142 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.422 |
| InChI Key: | JHPIOVDHSWPOTD-UHFFFAOYSA-N |