2-butanoyl-5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)cyclohex-2-en-1-one
Chemical Structure Depiction of
2-butanoyl-5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)cyclohex-2-en-1-one
2-butanoyl-5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)cyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8014-1491 |
| Compound Name: | 2-butanoyl-5,5-dimethyl-3-({2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}amino)cyclohex-2-en-1-one |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C24 H29 F3 N2 O3 |
| Smiles: | CCCC(C1=C(CC(C)(C)CC1=O)NCCc1c2cc(ccc2[nH]c1C)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4893 |
| logD: | 5.4068 |
| logSw: | -5.5076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.673 |
| InChI Key: | OKXIMDYASLYKHQ-UHFFFAOYSA-N |