2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8006-7962 |
Compound Name: | 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 499.38 |
Molecular Formula: | C22 H19 Br N4 O3 S |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)[N+]([O-])=O)c2cc(cs2)[Br])C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.271 |
logD: | 4.271 |
logSw: | -4.63 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.777 |
InChI Key: | FWKRXCGEVKPTKA-IBGZPJMESA-N |