3-benzylidene-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
Chemical Structure Depiction of
3-benzylidene-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
3-benzylidene-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
Compound characteristics
| Compound ID: | 8011-9705 |
| Compound Name: | 3-benzylidene-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(=C/c2ccccc2)\c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8757 |
| logD: | 4.8757 |
| logSw: | -4.8203 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.881 |
| InChI Key: | OMXOOXKWYGZUDI-UHFFFAOYSA-N |