1-{4-[4-(carboxymethyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{4-[4-(carboxymethyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{4-[4-(carboxymethyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0007 |
| Compound Name: | 1-{4-[4-(carboxymethyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)Nc1ccc(CC(O)=O)cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7721 |
| logD: | -0.3123 |
| logSw: | -3.5337 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.753 |
| InChI Key: | PVLLIAHTTYWYAE-UHFFFAOYSA-N |