(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)(3-phenylpyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)(3-phenylpyrrolidin-1-yl)methanone
(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)(3-phenylpyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | F061-1948 |
| Compound Name: | (1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)(3-phenylpyrrolidin-1-yl)methanone |
| Molecular Weight: | 547.72 |
| Molecular Formula: | C31 H37 N3 O4 S |
| Smiles: | Cc1cc(C)c(/C=C/c2c(c(C)no2)S(N2CCCC(C2)C(N2CCC(C2)c2ccccc2)=O)(=O)=O)c(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.593 |
| logD: | 5.593 |
| logSw: | -5.3113 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.075 |
| InChI Key: | CKIXPICBEWAOPR-UHFFFAOYSA-N |