2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one
Compound characteristics
| Compound ID: | SC66-0297 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C21 H32 N6 O2 |
| Smiles: | CC(C)Cn1cnnc1C1CN(CC12CCOCC2)C(Cn1c(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5135 |
| logD: | 0.5135 |
| logSw: | -0.9369 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.785 |
| InChI Key: | BHYWLEAZVUDDRR-SFHVURJKSA-N |