2-amino-1-(2,6-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,6-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,6-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-9550 |
| Compound Name: | 2-amino-1-(2,6-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 451.47 |
| Molecular Formula: | C25 H23 F2 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(cccc2F)F)c2ccc(c(c2)OC)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3091 |
| logD: | 3.3087 |
| logSw: | -3.1555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.953 |
| InChI Key: | DGAGNBWZMKUDHH-NRFANRHFSA-N |