2'-(butan-2-yl)-N-(4-carbamoylphenyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Chemical Structure Depiction of
2'-(butan-2-yl)-N-(4-carbamoylphenyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
2'-(butan-2-yl)-N-(4-carbamoylphenyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide
Compound characteristics
| Compound ID: | Y043-2086 |
| Compound Name: | 2'-(butan-2-yl)-N-(4-carbamoylphenyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCC(C)N1C(c2ccccc2C(C(Nc2ccc(cc2)C(N)=O)=O)C12CCCCC2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.944 |
| logD: | 3.9351 |
| logSw: | -4.0788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.357 |
| InChI Key: | BCXFUQOFNOIJKR-UHFFFAOYSA-N |