1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(thiophen-2-yl)methyl]-1H-indole
Chemical Structure Depiction of
1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(thiophen-2-yl)methyl]-1H-indole
1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(thiophen-2-yl)methyl]-1H-indole
Compound characteristics
| Compound ID: | 8015-6564 |
| Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-[(thiophen-2-yl)methyl]-1H-indole |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C20 H15 N3 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(n1cc(Cc2cccs2)c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8825 |
| logD: | 4.8825 |
| logSw: | -4.8386 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.44 |
| InChI Key: | OXCMWQKEZPGEGY-UHFFFAOYSA-N |