4-(2-chloro-5-nitrophenyl)-7-(3,4-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
4-(2-chloro-5-nitrophenyl)-7-(3,4-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
4-(2-chloro-5-nitrophenyl)-7-(3,4-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Compound characteristics
Compound ID: | C276-1268 |
Compound Name: | 4-(2-chloro-5-nitrophenyl)-7-(3,4-dimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione |
Molecular Weight: | 456.88 |
Molecular Formula: | C23 H21 Cl N2 O6 |
Smiles: | COc1ccc(cc1OC)C1CC2=C(C(CC(N2)=O)c2cc(ccc2[Cl])[N+]([O-])=O)C(C1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.7641 |
logD: | 2.6533 |
logSw: | -4.259 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.377 |
InChI Key: | AHGYMBXIIHALTI-UHFFFAOYSA-N |