2-{[9-(1-ethyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-(1-ethyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[9-(1-ethyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC44-0286 |
| Compound Name: | 2-{[9-(1-ethyl-1H-pyrazole-5-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H32 N4 O4 |
| Smiles: | CCn1c(ccn1)C(N1CCC2(CC1)CC(CCO2)OCC(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3571 |
| logD: | 0.3571 |
| logSw: | -1.3241 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.077 |
| InChI Key: | MKJQOHJHWIUYPH-QGZVFWFLSA-N |