{3-[5-chloro-4-{[(2-chloro-4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-{[(2-chloro-4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-{[(2-chloro-4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0241 |
| Compound Name: | {3-[5-chloro-4-{[(2-chloro-4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 480.37 |
| Molecular Formula: | C23 H24 Cl2 F N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccc(cc1[Cl])F)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6374 |
| logD: | 1.8707 |
| logSw: | -4.4871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.202 |
| InChI Key: | NINIJFNJRWWWII-UHFFFAOYSA-N |