N-[(1H-benzimidazol-2-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
N-[(1H-benzimidazol-2-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
N-[(1H-benzimidazol-2-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y044-3742 |
| Compound Name: | N-[(1H-benzimidazol-2-yl)methyl]-2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCc2nc3ccccc3[nH]2)=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3932 |
| logD: | 4.3926 |
| logSw: | -4.0864 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.941 |
| InChI Key: | MFBUWOJEGYIVTF-QHCPKHFHSA-N |