7,9-diiodo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
7,9-diiodo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
7,9-diiodo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8017-8268 |
| Compound Name: | 7,9-diiodo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 672.24 |
| Molecular Formula: | C22 H14 I2 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3cc(cc(c3Oc3cc(cc1c23)[N+]([O-])=O)I)I)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8568 |
| logD: | 6.8568 |
| logSw: | -5.868 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.901 |
| InChI Key: | ZIKJIYAPHPGCSO-UHFFFAOYSA-N |