{3-[5-chloro-4-(5-chloro-2-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(5-chloro-2-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(5-chloro-2-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0319 |
| Compound Name: | {3-[5-chloro-4-(5-chloro-2-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 464.35 |
| Molecular Formula: | C22 H23 Cl2 N3 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cc(ccc1O)[Cl])[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4002 |
| logD: | 1.6335 |
| logSw: | -4.4902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.73 |
| InChI Key: | UMKMOACLLBQTKH-UHFFFAOYSA-N |