rel-(5R,7S)-3-[5-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
rel-(5R,7S)-3-[5-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
rel-(5R,7S)-3-[5-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-1362 |
| Compound Name: | rel-(5R,7S)-3-[5-chloro-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 487.98 |
| Molecular Formula: | C25 H30 Cl N3 O5 |
| Smiles: | [H][C@]12CC3(CC(C1)(C[C@@]([H])(C3)C2)N1C(C(=C(C=N1)NCCc1ccc(c(c1)OC)OC)[Cl])=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2455 |
| logD: | 0.9598 |
| logSw: | -3.5149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.328 |
| InChI Key: | DYUGNECLEKFVCV-IMWZJCIKSA-N |