2-{[1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1,2-dihydro-3H-indol-3-ylidene]methyl}-4-nitrophenol
Chemical Structure Depiction of
2-{[1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1,2-dihydro-3H-indol-3-ylidene]methyl}-4-nitrophenol
2-{[1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1,2-dihydro-3H-indol-3-ylidene]methyl}-4-nitrophenol
Compound characteristics
| Compound ID: | 8015-6880 |
| Compound Name: | 2-{[1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1,2-dihydro-3H-indol-3-ylidene]methyl}-4-nitrophenol |
| Molecular Weight: | 512.45 |
| Molecular Formula: | C22 H16 N4 O9 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(=C/c2cc(ccc2O)[N+]([O-])=O)\c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6885 |
| logD: | 2.3363 |
| logSw: | -4.4469 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.81 |
| InChI Key: | BHDYQDFZUZUFGR-UHFFFAOYSA-N |