3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid
3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | C719-0007 |
| Compound Name: | 3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}-4-methylbenzoic acid |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0039 |
| logD: | 2.536 |
| logSw: | -4.8622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.206 |
| InChI Key: | HZHIWGJLYBHKLR-UHFFFAOYSA-N |