(3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C301-1769 |
| Compound Name: | (3-{5-chloro-6-oxo-4-[3-(trifluoromethyl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 481.9 |
| Molecular Formula: | C23 H23 Cl F3 N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cccc(c1)C(F)(F)F)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1274 |
| logD: | 2.3607 |
| logSw: | -5.4617 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | APEUGAWOFVIOQJ-UHFFFAOYSA-N |