{3-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1772 |
| Compound Name: | {3-[4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccc2c(c1)OCO2)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5276 |
| logD: | 0.7609 |
| logSw: | -3.685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.317 |
| InChI Key: | KTWNBKQPDZIOEL-UHFFFAOYSA-N |