3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 3993-1420 |
| Compound Name: | 3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 391.32 |
| Molecular Formula: | C19 H16 Cl2 N2 O S |
| Smiles: | Cc1c2CCCCc2c(C#N)c(n1)SCC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6959 |
| logD: | 5.6959 |
| logSw: | -6.0584 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.515 |
| InChI Key: | VGVBCVZTHFNEMZ-UHFFFAOYSA-N |