1-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0136 |
| Compound Name: | 1-{5-chloro-4-[(3-methylbutyl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 393.91 |
| Molecular Formula: | C20 H28 Cl N3 O3 |
| Smiles: | CC(C)CCNC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2516 |
| logD: | 0.9155 |
| logSw: | -3.4497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.804 |
| InChI Key: | YNDPLAHRHPBCOR-UHFFFAOYSA-N |