{3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1767 |
| Compound Name: | {3-[5-chloro-4-{[(furan-2-yl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 417.89 |
| Molecular Formula: | C21 H24 Cl N3 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccco1)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3652 |
| logD: | 0.5984 |
| logSw: | -3.4567 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.95 |
| InChI Key: | ISXWVRSKIUKENI-UHFFFAOYSA-N |