1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0153 |
| Compound Name: | 1-{5-chloro-4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C20 H24 Cl N5 O3 |
| Smiles: | Cc1c(c(C)[nH]n1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0395 |
| logD: | -0.2966 |
| logSw: | -2.7478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.889 |
| InChI Key: | OZTYZVCHJQSJBN-UHFFFAOYSA-N |