{rel-(5R,7S)-3-[5-chloro-4-(4-ethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{rel-(5R,7S)-3-[5-chloro-4-(4-ethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{rel-(5R,7S)-3-[5-chloro-4-(4-ethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1220 |
| Compound Name: | {rel-(5R,7S)-3-[5-chloro-4-(4-ethoxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C24 H28 Cl N3 O4 |
| Smiles: | [H][C@]12CC3(CC(O)=O)CC(C1)(C[C@@]([H])(C3)C2)N1C(C(=C(C=N1)Nc1ccc(cc1)OCC)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4532 |
| logD: | 1.6864 |
| logSw: | -4.2324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.003 |
| InChI Key: | MYCXCLJOAUJRPN-FNZWZJOASA-N |