2-[4-(2-chloro-6-fluorophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[4-(2-chloro-6-fluorophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[4-(2-chloro-6-fluorophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8841 |
| Compound Name: | 2-[4-(2-chloro-6-fluorophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C24 H20 Cl F N2 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C3CCCC(C=3C(CC1=O)c1c(cccc1[Cl])F)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4989 |
| logD: | 4.4989 |
| logSw: | -4.8234 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.632 |
| InChI Key: | CKACDUQZGAJLSQ-AWEZNQCLSA-N |