3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2242 |
| Compound Name: | 3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C22 H23 Cl F N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccc(cc1)F)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6234 |
| logD: | 1.3378 |
| logSw: | -3.7425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.226 |
| InChI Key: | DVLBBESTJWLSRY-UHFFFAOYSA-N |