2-amino-4-(5-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-4839 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-1-(2-chloropyridin-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 489.82 |
| Molecular Formula: | C21 H18 Br Cl N4 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cccnc2[Cl])c2ccc(s2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8729 |
| logD: | 3.8729 |
| logSw: | -4.2725 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.779 |
| InChI Key: | ZLYJSETVJMGPQI-KRWDZBQOSA-N |