1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-({5-[(3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2,3-dihydro-1H-indole
Chemical Structure Depiction of
1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-({5-[(3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2,3-dihydro-1H-indole
1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-({5-[(3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2,3-dihydro-1H-indole
Compound characteristics
| Compound ID: | 8017-8121 |
| Compound Name: | 1-(4-methylbenzene-1-sulfonyl)-4,6-dinitro-3-({5-[(3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2,3-dihydro-1H-indole |
| Molecular Weight: | 566.5 |
| Molecular Formula: | C24 H18 N6 O9 S |
| Smiles: | Cc1ccc(cc1)S(N1CC(=C/c2ccc(Cn3ccc(n3)[N+]([O-])=O)o2)\c2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0813 |
| logD: | 4.0813 |
| logSw: | -4.4552 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 152.126 |
| InChI Key: | SZVFIYXLDZAQDL-UHFFFAOYSA-N |