{3-[5-chloro-6-oxo-4-{[(oxolan-2-yl)methyl]amino}pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-6-oxo-4-{[(oxolan-2-yl)methyl]amino}pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-6-oxo-4-{[(oxolan-2-yl)methyl]amino}pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0277 |
| Compound Name: | {3-[5-chloro-6-oxo-4-{[(oxolan-2-yl)methyl]amino}pyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 421.92 |
| Molecular Formula: | C21 H28 Cl N3 O4 |
| Smiles: | C1CC(CNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)(CC(O)=O)C3)C2)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4047 |
| logD: | -0.362 |
| logSw: | -3.0964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.856 |
| InChI Key: | DVBMTEUIDSJCBO-UHFFFAOYSA-N |