1-[5-chloro-4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0047 |
| Compound Name: | 1-[5-chloro-4-{[2-(3,4-diethoxyphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 516.04 |
| Molecular Formula: | C27 H34 Cl N3 O5 |
| Smiles: | CCOc1ccc(CCNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)C3C(O)=O)C2)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.167 |
| logD: | 0.8309 |
| logSw: | -3.3791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.953 |
| InChI Key: | OWSVDVMPSRNRIS-UHFFFAOYSA-N |