1-{5-chloro-4-[(3-methoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[(3-methoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[(3-methoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0149 |
| Compound Name: | 1-{5-chloro-4-[(3-methoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 395.88 |
| Molecular Formula: | C19 H26 Cl N3 O4 |
| Smiles: | COCCCNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9175 |
| logD: | -0.4186 |
| logSw: | -2.6787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.147 |
| InChI Key: | CMBTUTCYOMITKY-UHFFFAOYSA-N |