2,6,6-trimethyl-1-(4-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
2,6,6-trimethyl-1-(4-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
2,6,6-trimethyl-1-(4-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | 8012-0490 |
| Compound Name: | 2,6,6-trimethyl-1-(4-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 429.73 |
| Molecular Formula: | C19 H19 Cl3 N2 O3 |
| Smiles: | Cc1c(CC([Cl])([Cl])[Cl])c2C(CC(C)(C)Cc2n1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3738 |
| logD: | 5.3738 |
| logSw: | -6.2107 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.214 |
| InChI Key: | ZXWSRZORIQTYLN-UHFFFAOYSA-N |