{3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1682 |
| Compound Name: | {3-[5-chloro-4-{[(4-fluorophenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C23 H25 Cl F N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccc(cc1)F)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6436 |
| logD: | 0.8768 |
| logSw: | -3.8104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.202 |
| InChI Key: | NLBLMDUCWJJROZ-UHFFFAOYSA-N |