2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-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-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-6749 |
| Compound Name: | 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-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)N2c2cccc(c2)[N+]([O-])=O)c2cc(cs2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2206 |
| logD: | 4.2206 |
| logSw: | -4.6195 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.777 |
| InChI Key: | OTAPSMKMVLKGQP-IBGZPJMESA-N |