{3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0235 |
| Compound Name: | {3-[4-(benzylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C23 H26 Cl N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccccc1)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6145 |
| logD: | 0.8478 |
| logSw: | -3.6913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.202 |
| InChI Key: | UALNQTBBZSTOLZ-UHFFFAOYSA-N |