{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}methanone
Chemical Structure Depiction of
{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}methanone
{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}methanone
Compound characteristics
| Compound ID: | T500-1798 |
| Compound Name: | {5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}methanone |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C28 H35 N3 O3 |
| Smiles: | Cc1ccc(CC2CCOC3(CCN(CC3)C(c3ccc(Cn4c(C)cc(C)n4)o3)=O)C2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3675 |
| logD: | 4.3675 |
| logSw: | -4.2394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.794 |
| InChI Key: | LUFWHIOXWHHPCI-DEOSSOPVSA-N |