1-(3-chloro-4-methylphenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
1-(3-chloro-4-methylphenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | 8012-0476 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 433.2 |
| Molecular Formula: | C20 H21 Cl4 N O |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C)c(CC([Cl])([Cl])[Cl])c2C(CC(C)(C)Cc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6722 |
| logD: | 6.6722 |
| logSw: | -6.5683 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.8324 |
| InChI Key: | QNRUFLBANKREBZ-UHFFFAOYSA-N |