2-{[9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[9-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]oxy}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SC44-0287 |
| Compound Name: | 2-{[9-(1,5-dimethyl-1H-pyrazole-3-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: | Cc1cc(C(N2CCC3(CC2)CC(CCO3)OCC(N2CCCC2)=O)=O)nn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2364 |
| logD: | 0.2364 |
| logSw: | -0.7249 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.475 |
| InChI Key: | SPWNYWPYGKPHPO-QGZVFWFLSA-N |