2'-benzyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-benzyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-benzyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | J105-0149 |
| Compound Name: | 2'-benzyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C27 H29 N3 O2 |
| Smiles: | Cn1cccc1CNC(C1c2ccccc2C(N(Cc2ccccc2)C12CCCC2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3597 |
| logD: | 4.3597 |
| logSw: | -4.3137 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.307 |
| InChI Key: | WWNHRFCCKZUSKW-DEOSSOPVSA-N |