3-{5-chloro-4-[4-(ethoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-{5-chloro-4-[4-(ethoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
3-{5-chloro-4-[4-(ethoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2217 |
| Compound Name: | 3-{5-chloro-4-[4-(ethoxycarbonyl)anilino]-6-oxopyridazin-1(6H)-yl}adamantane-1-carboxylic acid |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6655 |
| logD: | 2.3798 |
| logSw: | -4.4087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.658 |
| InChI Key: | HVWAMVHIZQHHQK-UHFFFAOYSA-N |