3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoic acid
3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | C719-0097 |
| Compound Name: | 3-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoic acid |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1cccc(c1)C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9631 |
| logD: | 2.0773 |
| logSw: | -4.8228 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.904 |
| InChI Key: | GZVVPDIUZCJGQH-UHFFFAOYSA-N |