3-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-4-methoxybenzoic acid
Chemical Structure Depiction of
3-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-4-methoxybenzoic acid
3-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-4-methoxybenzoic acid
Compound characteristics
| Compound ID: | C719-0225 |
| Compound Name: | 3-({1-[3-(carboxymethyl)adamantan-1-yl]-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl}amino)-4-methoxybenzoic acid |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C24 H26 Cl N3 O6 |
| Smiles: | COc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0446 |
| logD: | 1.2779 |
| logSw: | -4.3707 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.22 |
| InChI Key: | TYDIIKGGAVNNMV-UHFFFAOYSA-N |