{3-[4-(4-bromoanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Chemical Structure Depiction of
{3-[4-(4-bromoanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
{3-[4-(4-bromoanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid
Compound characteristics
| Compound ID: | C301-1680 |
| Compound Name: | {3-[4-(4-bromoanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantan-1-yl}acetic acid |
| Molecular Weight: | 492.8 |
| Molecular Formula: | C22 H23 Br Cl N3 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(cc1)[Br])[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9181 |
| logD: | 2.1514 |
| logSw: | -4.6194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | PUKJCYUPIVQVNY-UHFFFAOYSA-N |