1-[5-chloro-4-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0102 |
| Compound Name: | 1-[5-chloro-4-(morpholin-4-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C19 H24 Cl N3 O4 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)N1CCOCC1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8774 |
| logD: | -0.4587 |
| logSw: | -2.4113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.462 |
| InChI Key: | DUBGHWSWSGLZCF-UHFFFAOYSA-N |