1-[3-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Chemical Structure Depiction of
1-[3-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
1-[3-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Compound characteristics
| Compound ID: | V005-5331 |
| Compound Name: | 1-[3-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C28 H35 N3 O4 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)C1CC(c2ccc(C)c(C)c2)=NN1C(CN1CCC2(CC1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6672 |
| logD: | 4.6174 |
| logSw: | -4.2458 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.152 |
| InChI Key: | VHAXIKAMGUSKQR-SANMLTNESA-N |