6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-4H-1-benzopyran-4-one
6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y040-3316 |
| Compound Name: | 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C26 H32 N2 O3 S |
| Smiles: | CCc1cc2C(C(=COc2c(CN2CC3(C)CC2CC(C)(C)C3)c1O)c1nc(C)cs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.29 |
| logD: | 3.7587 |
| logSw: | -5.1167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.419 |
| InChI Key: | MSVQRQDUIPRIMZ-UHFFFAOYSA-N |