2'-butyl-N-[(4-chlorophenyl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-butyl-N-[(4-chlorophenyl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
2'-butyl-N-[(4-chlorophenyl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y044-3743 |
| Compound Name: | 2'-butyl-N-[(4-chlorophenyl)methyl]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 424.97 |
| Molecular Formula: | C25 H29 Cl N2 O2 |
| Smiles: | CCCCN1C(c2ccccc2C(C(NCc2ccc(cc2)[Cl])=O)C12CCCC2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.011 |
| logD: | 5.011 |
| logSw: | -4.9163 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.659 |
| InChI Key: | IJPNORVJZWWJAT-JOCHJYFZSA-N |