(3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Chemical Structure Depiction of
(3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
(3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid
Compound characteristics
| Compound ID: | C301-1684 |
| Compound Name: | (3-{5-chloro-6-oxo-4-[4-(propan-2-yl)anilino]pyridazin-1(6H)-yl}adamantan-1-yl)acetic acid |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C25 H30 Cl N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(CC(O)=O)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 5.4224 |
| logD: | 2.6557 |
| logSw: | -5.9212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | AGNLDINYOVKOJX-UHFFFAOYSA-N |