3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 3993-1448 |
| Compound Name: | 3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 405.34 |
| Molecular Formula: | C20 H18 Cl2 N2 O S |
| Smiles: | CCc1c2CCCCc2c(C#N)c(n1)SCC(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1926 |
| logD: | 6.1926 |
| logSw: | -6.2648 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.204 |
| InChI Key: | MTWVVHNKHYOQTR-UHFFFAOYSA-N |