(2E,4E)-2,4-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Chemical Structure Depiction of
(2E,4E)-2,4-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
(2E,4E)-2,4-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Compound characteristics
| Compound ID: | C151-0870 |
| Compound Name: | (2E,4E)-2,4-bis({3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
| Molecular Weight: | 591.75 |
| Molecular Formula: | C36 H41 N5 O3 |
| Smiles: | Cc1cc(C)n(Cc2cc(\C=C3/C4CCC(/C(=C\c5ccc(c(Cn6c(C)cc(C)n6)c5)OC)C3=O)N4C)ccc2OC)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7387 |
| logD: | 4.735 |
| logSw: | -4.6318 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.194 |
| InChI Key: | DDPSIDDSXIKGOY-UHFFFAOYSA-N |