3-{[2,4-bis(benzyloxy)phenyl]methylidene}-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
Chemical Structure Depiction of
3-{[2,4-bis(benzyloxy)phenyl]methylidene}-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
3-{[2,4-bis(benzyloxy)phenyl]methylidene}-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole
Compound characteristics
| Compound ID: | 8017-0000 |
| Compound Name: | 3-{[2,4-bis(benzyloxy)phenyl]methylidene}-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-2,3-dihydro-1H-indole |
| Molecular Weight: | 663.71 |
| Molecular Formula: | C36 H29 N3 O8 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(=C/c2ccc(cc2OCc2ccccc2)OCc2ccccc2)\c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0278 |
| logD: | 8.0278 |
| logSw: | -5.8175 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 112.423 |
| InChI Key: | OSSSFJOBSVOIER-UHFFFAOYSA-N |