1-ethyl-3-{[(4-methylbenzene-1-sulfonyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
1-ethyl-3-{[(4-methylbenzene-1-sulfonyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
1-ethyl-3-{[(4-methylbenzene-1-sulfonyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 7287-1019 |
| Compound Name: | 1-ethyl-3-{[(4-methylbenzene-1-sulfonyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | CCc1c2CCCCc2c(C#N)c(n1)SCS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9625 |
| logD: | 4.9625 |
| logSw: | -4.7216 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.993 |
| InChI Key: | VEPIWSGQBLFZIU-UHFFFAOYSA-N |