{3-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0242 |
| Compound Name: | {3-[5-chloro-4-{[(3-methoxyphenyl)methyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 457.96 |
| Molecular Formula: | C24 H28 Cl N3 O4 |
| Smiles: | COc1cccc(CNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)(CC(O)=O)C3)C2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7118 |
| logD: | 0.9451 |
| logSw: | -4.1417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.745 |
| InChI Key: | IFIYCFLVPDWUOP-UHFFFAOYSA-N |