1-{4-[3,5-bis(methoxycarbonyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-{4-[3,5-bis(methoxycarbonyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
1-{4-[3,5-bis(methoxycarbonyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0005 |
| Compound Name: | 1-{4-[3,5-bis(methoxycarbonyl)anilino]-5-chloro-6-oxopyridazin-1(6H)-yl}adamantane-2-carboxylic acid |
| Molecular Weight: | 515.95 |
| Molecular Formula: | C25 H26 Cl N3 O7 |
| Smiles: | COC(c1cc(cc(c1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2C(O)=O)C1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9832 |
| logD: | 1.6471 |
| logSw: | -4.2471 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.717 |
| InChI Key: | SFRSWRCYXKYOCG-UHFFFAOYSA-N |