2-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-8-[(piperidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Chemical Structure Depiction of
2-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-8-[(piperidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
2-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-8-[(piperidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione
Compound characteristics
| Compound ID: | SC89-0259 |
| Compound Name: | 2-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-8-[(piperidin-1-yl)methyl]-5lambda~6~-thia-2-azaspiro[3.4]octane-5,5-dione |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | Cc1c(Cn2cccn2)c(C(N2CC3(C2)C(CCS3(=O)=O)CN2CCCCC2)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6113 |
| logD: | -0.641 |
| logSw: | -1.4168 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.384 |
| InChI Key: | KKDDPGZDSZGMQD-KRWDZBQOSA-N |