4-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)benzoic acid
Chemical Structure Depiction of
4-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)benzoic acid
4-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | C719-0305 |
| Compound Name: | 4-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)benzoic acid |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(cc1)C(O)=O)[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9324 |
| logD: | 1.1657 |
| logSw: | -4.2559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.288 |
| InChI Key: | OBASUWYOBQJHAM-UHFFFAOYSA-N |