2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-9567 |
| Compound Name: | 2-amino-1-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 411.47 |
| Molecular Formula: | C22 H19 F2 N3 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(cccc2F)F)c2ccsc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8549 |
| logD: | 3.8549 |
| logSw: | -4.2088 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.793 |
| InChI Key: | OUMJUDQCQAGHNQ-GOSISDBHSA-N |