2-(4-methylbenzene-1-sulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile
2-(4-methylbenzene-1-sulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile
Compound characteristics
| Compound ID: | 0075-0025 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-1,2-dihydroisoquinoline-1-carbonitrile |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C17 H14 N2 O2 S |
| Smiles: | Cc1ccc(cc1)S(N1C=Cc2ccccc2C1C#N)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2435 |
| logD: | 3.2427 |
| logSw: | -3.4502 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.077 |
| InChI Key: | XDAMNXBOSSTXSW-QGZVFWFLSA-N |