2-(4-methylbenzene-1-sulfonyl)-4-nitro-7-(prop-2-en-1-yl)-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-4-nitro-7-(prop-2-en-1-yl)-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
2-(4-methylbenzene-1-sulfonyl)-4-nitro-7-(prop-2-en-1-yl)-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8015-0250 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-4-nitro-7-(prop-2-en-1-yl)-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C25 H20 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(n1cc2Cc3cccc(CC=C)c3Oc3cc(cc1c23)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3315 |
| logD: | 6.3315 |
| logSw: | -5.8553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.442 |
| InChI Key: | HTRQMXZSQBNYEH-UHFFFAOYSA-N |