{3-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C719-0301 |
| Compound Name: | {3-[5-chloro-4-(3-hydroxyanilino)-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C22 H24 Cl N3 O4 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cccc(c1)O)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4675 |
| logD: | 0.7008 |
| logSw: | -3.425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.497 |
| InChI Key: | ICADXJDRQNPZJQ-UHFFFAOYSA-N |