2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0096 |
| Compound Name: | 2-amino-1-(2-chloro-5-nitrophenyl)-4-(5-ethylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CCc1ccc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2cc(ccc2[Cl])[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3857 |
| logD: | 4.3857 |
| logSw: | -4.5743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.476 |
| InChI Key: | OKXSBZCIZVZEET-HXUWFJFHSA-N |