3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2286 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)amino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C22 H22 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc2c(c1)OCO2)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8972 |
| logD: | 1.6115 |
| logSw: | -4.2351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.019 |
| InChI Key: | MWPWITJYJPAFNM-UHFFFAOYSA-N |