{rel-(5R,7S)-3-[5-chloro-4-{[2-(4-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{rel-(5R,7S)-3-[5-chloro-4-{[2-(4-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{rel-(5R,7S)-3-[5-chloro-4-{[2-(4-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1222 |
| Compound Name: | {rel-(5R,7S)-3-[5-chloro-4-{[2-(4-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C25 H30 Cl N3 O3 |
| Smiles: | [H][C@]12CC3(CC(O)=O)CC(C1)(C[C@@]([H])(C3)C2)N1C(C(=C(C=N1)NCCc1ccc(C)cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1719 |
| logD: | 1.4052 |
| logSw: | -4.2379 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.043 |
| InChI Key: | VVUYBMYUFCMBIX-WWVRUBFXSA-N |