2-amino-1-(5-bromopyridin-2-yl)-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(5-bromopyridin-2-yl)-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(5-bromopyridin-2-yl)-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-2132 |
| Compound Name: | 2-amino-1-(5-bromopyridin-2-yl)-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 534.27 |
| Molecular Formula: | C21 H18 Br2 N4 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cn2)[Br])c2cc(cs2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8242 |
| logD: | 4.8242 |
| logSw: | -4.7242 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.996 |
| InChI Key: | RDAFEBKNKDKUAJ-GOSISDBHSA-N |