{rel-(5R,7S)-3-[5-chloro-4-(2,4-difluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{rel-(5R,7S)-3-[5-chloro-4-(2,4-difluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{rel-(5R,7S)-3-[5-chloro-4-(2,4-difluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1365 |
| Compound Name: | {rel-(5R,7S)-3-[5-chloro-4-(2,4-difluoroanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 449.88 |
| Molecular Formula: | C22 H22 Cl F2 N3 O3 |
| Smiles: | [H][C@]12CC3(CC(O)=O)CC(C1)(C[C@@]([H])(C3)C2)N1C(C(=C(C=N1)Nc1ccc(cc1F)F)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2595 |
| logD: | 1.4928 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.182 |
| InChI Key: | HVYRDLWGKITXSR-JXKJVBJKSA-N |