2-(4-bromophenyl)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
2-(4-bromophenyl)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
2-(4-bromophenyl)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | C589-0251 |
| Compound Name: | 2-(4-bromophenyl)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 446.75 |
| Molecular Formula: | C22 H18 Br Cl F N O |
| Smiles: | CC1(C)CC(c2cc(c3ccc(cc3)[Br])n(c3ccc(c(c3)[Cl])F)c2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7395 |
| logD: | 6.7395 |
| logSw: | -6.3062 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 14.8143 |
| InChI Key: | VWKYWVHLKXUUPA-UHFFFAOYSA-N |