ethyl 3-benzyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
ethyl 3-benzyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C276-0628 |
| Compound Name: | ethyl 3-benzyl-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C20 H23 N O3 |
| Smiles: | CCOC(c1c(Cc2ccccc2)c2C(CC(C)(C)Cc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.777 |
| logD: | 3.777 |
| logSw: | -4.3292 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.794 |
| InChI Key: | PSUHHGHTQHWMSU-UHFFFAOYSA-N |