1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | Y500-0297 |
| Compound Name: | 1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H21 F N2 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1c(C#N)c2CCCCc2c(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8052 |
| logD: | 5.8052 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.98 |
| InChI Key: | FSDVDERWMJINQC-UHFFFAOYSA-N |