(4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}phenyl)acetic acid
Chemical Structure Depiction of
(4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}phenyl)acetic acid
(4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}phenyl)acetic acid
Compound characteristics
| Compound ID: | C719-0008 |
| Compound Name: | (4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}phenyl)acetic acid |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc(CC(O)=O)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1169 |
| logD: | 1.0325 |
| logSw: | -4.3263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | OXKAFEZBEKUQSV-UHFFFAOYSA-N |