2-(cyclohex-1-ene-1-carbonyl)-1,2-dihydroisoquinoline-1-carbonitrile
Chemical Structure Depiction of
2-(cyclohex-1-ene-1-carbonyl)-1,2-dihydroisoquinoline-1-carbonitrile
2-(cyclohex-1-ene-1-carbonyl)-1,2-dihydroisoquinoline-1-carbonitrile
Compound characteristics
| Compound ID: | 0075-0028 |
| Compound Name: | 2-(cyclohex-1-ene-1-carbonyl)-1,2-dihydroisoquinoline-1-carbonitrile |
| Molecular Weight: | 264.32 |
| Molecular Formula: | C17 H16 N2 O |
| Smiles: | C1CCC(=CC1)C(N1C=Cc2ccccc2C1C#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2055 |
| logD: | 3.2055 |
| logSw: | -3.1708 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 32.429 |
| InChI Key: | TWPVSKQOCKYSJE-MRXNPFEDSA-N |