2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | C885-0324 |
| Compound Name: | 2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C19 H25 N5 O4 S |
| Smiles: | CC1=CC(N2C(=N1)SC(=N2)N1CCCC(C1)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5746 |
| logD: | 0.5696 |
| logSw: | -1.1904 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.99 |
| InChI Key: | XQBJCELVGRKZPO-AWEZNQCLSA-N |