3-[5-chloro-4-(2-methoxy-5-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[5-chloro-4-(2-methoxy-5-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[5-chloro-4-(2-methoxy-5-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2230 |
| Compound Name: | 3-[5-chloro-4-(2-methoxy-5-methylanilino)-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C23 H26 Cl N3 O4 |
| Smiles: | Cc1ccc(c(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1604 |
| logD: | 1.8747 |
| logSw: | -4.3406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.836 |
| InChI Key: | TWZPBCBBBOZDKJ-UHFFFAOYSA-N |