1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(pyridin-3-yl)methyl]-1H-indole
Chemical Structure Depiction of
1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(pyridin-3-yl)methyl]-1H-indole
1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(pyridin-3-yl)methyl]-1H-indole
Compound characteristics
| Compound ID: | 8015-3159 |
| Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(pyridin-3-yl)methyl]-1H-indole |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C21 H16 N4 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1cc(Cc2cccnc2)c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.017 |
| logD: | 4.0091 |
| logSw: | -4.1749 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.94 |
| InChI Key: | WLXICSFXYUSEFJ-UHFFFAOYSA-N |