{3-[5-chloro-4-{[2-(3-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-{[2-(3-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-{[2-(3-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0254 |
| Compound Name: | {3-[5-chloro-4-{[2-(3-methylphenyl)ethyl]amino}-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C25 H30 Cl N3 O3 |
| Smiles: | Cc1cccc(CCNC2C=NN(C(C=2[Cl])=O)C23CC4CC(CC(C4)(CC(O)=O)C3)C2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3392 |
| logD: | 1.5725 |
| logSw: | -4.4431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.043 |
| InChI Key: | GFWWAVAQFVKDCY-UHFFFAOYSA-N |