1-{5-chloro-4-[(3-ethoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[(3-ethoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[(3-ethoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0148 |
| Compound Name: | 1-{5-chloro-4-[(3-ethoxypropyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 409.91 |
| Molecular Formula: | C20 H28 Cl N3 O4 |
| Smiles: | CCOCCCNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2212 |
| logD: | -0.1149 |
| logSw: | -3.0701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.782 |
| InChI Key: | UZRJVDYNXYOJPL-UHFFFAOYSA-N |