2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | 8012-0469 |
| Compound Name: | 2,6,6-trimethyl-1-(2-methyl-5-nitrophenyl)-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 443.76 |
| Molecular Formula: | C20 H21 Cl3 N2 O3 |
| Smiles: | Cc1ccc(cc1n1c(C)c(CC([Cl])([Cl])[Cl])c2C(CC(C)(C)Cc12)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9172 |
| logD: | 5.9172 |
| logSw: | -6.2521 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.913 |
| InChI Key: | RFOHGBBUROADQV-UHFFFAOYSA-N |