5-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-2-chlorobenzoic acid
5-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | C719-0308 |
| Compound Name: | 5-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-2-chlorobenzoic acid |
| Molecular Weight: | 492.36 |
| Molecular Formula: | C23 H23 Cl2 N3 O5 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(c(c1)C(O)=O)[Cl])[Cl])=O)CC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4282 |
| logD: | 0.6251 |
| logSw: | -4.4157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.288 |
| InChI Key: | WDRPEDQPKYVPGH-UHFFFAOYSA-N |