1-[5-chloro-6-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-6-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-6-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0118 |
| Compound Name: | 1-[5-chloro-6-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 536.98 |
| Molecular Formula: | C26 H28 Cl F3 N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4721 |
| logD: | 2.136 |
| logSw: | -4.5405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.813 |
| InChI Key: | NVURRZRFZIUNGM-UHFFFAOYSA-N |