2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
Chemical Structure Depiction of
2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
Compound characteristics
| Compound ID: | 0141-0310 |
| Compound Name: | 2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile |
| Molecular Weight: | 260.29 |
| Molecular Formula: | C17 H12 N2 O |
| Smiles: | C1=CN(C(C#N)c2ccccc12)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.551 |
| logD: | 2.5509 |
| logSw: | -2.6006 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 32.237 |
| InChI Key: | HIRCCKPODGFADB-MRXNPFEDSA-N |