3-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole
Chemical Structure Depiction of
3-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole
3-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole
Compound characteristics
| Compound ID: | 8015-1997 |
| Compound Name: | 3-[(4-fluorophenyl)methyl]-1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-1H-indole |
| Molecular Weight: | 469.45 |
| Molecular Formula: | C22 H16 F N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1cc(Cc2ccc(cc2)F)c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3335 |
| logD: | 5.3335 |
| logSw: | -5.4557 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.422 |
| InChI Key: | PTFQQBWUVLKUEH-UHFFFAOYSA-N |