1-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0040 |
| Compound Name: | 1-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C23 H26 Cl N3 O4 |
| Smiles: | COc1cccc(CNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)C3C(O)=O)C2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1219 |
| logD: | 0.7858 |
| logSw: | -3.4407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.235 |
| InChI Key: | FTODPHNOFJBRRH-UHFFFAOYSA-N |