1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Chemical Structure Depiction of
1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid
Compound characteristics
| Compound ID: | C850-0120 |
| Compound Name: | 1-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1(6H)-yl]adamantane-2-carboxylic acid |
| Molecular Weight: | 449.93 |
| Molecular Formula: | C22 H28 Cl N3 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3C(O)=O)N1C(C(=C(C=N1)N1CCC2(CC1)OCCO2)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0986 |
| logD: | -0.2375 |
| logSw: | -2.4674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.99 |
| InChI Key: | HYXRIRSXTMQTLI-UHFFFAOYSA-N |