2'-butyl-N-[2-(1H-indol-3-yl)ethyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-N-[2-(1H-indol-3-yl)ethyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-N-[2-(1H-indol-3-yl)ethyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y042-1120 |
| Compound Name: | 2'-butyl-N-[2-(1H-indol-3-yl)ethyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C28 H33 N3 O2 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCCc2c[nH]c3ccccc23)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9411 |
| logD: | 4.9411 |
| logSw: | -4.5434 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.371 |
| InChI Key: | MEHLZIKREJFBQD-VWLOTQADSA-N |