3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one
Chemical Structure Depiction of
3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one
3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8016-1993 |
| Compound Name: | 3-{[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C22 H27 F N2 O2 |
| Smiles: | CCC(C1=C(CC(C)(C)CC1=O)NCCc1c2cc(ccc2[nH]c1C)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7424 |
| logD: | 3.6599 |
| logSw: | -4.1679 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.736 |
| InChI Key: | DLMVHJJRQRZHCV-UHFFFAOYSA-N |