2-amino-1-(5-bromopyridin-2-yl)-4-(5-tert-butylthiophen-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-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(5-bromopyridin-2-yl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-7078 |
| Compound Name: | 2-amino-1-(5-bromopyridin-2-yl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 511.48 |
| Molecular Formula: | C25 H27 Br N4 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cn2)[Br])c2ccc(C(C)(C)C)s2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7607 |
| logD: | 5.7607 |
| logSw: | -5.3847 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.996 |
| InChI Key: | QJLMDCDWIHZNEJ-OAQYLSRUSA-N |