3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Chemical Structure Depiction of
3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid
Compound characteristics
| Compound ID: | C301-2229 |
| Compound Name: | 3-[4-(3-acetylanilino)-5-chloro-6-oxopyridazin-1(6H)-yl]adamantane-1-carboxylic acid |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C23 H24 Cl N3 O4 |
| Smiles: | CC(c1cccc(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)(C2)C(O)=O)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.805 |
| logD: | 1.5193 |
| logSw: | -4.0802 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.73 |
| InChI Key: | CRYOHJDBPCYDGF-UHFFFAOYSA-N |