5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid
5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | C719-0101 |
| Compound Name: | 5-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-2-chlorobenzoic acid |
| Molecular Weight: | 434.32 |
| Molecular Formula: | C21 H21 Cl2 N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(c(c1)C(O)=O)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1832 |
| logD: | 1.3802 |
| logSw: | -5.2847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.904 |
| InChI Key: | IOGKQKDWPIDVFQ-UHFFFAOYSA-N |