(2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
Chemical Structure Depiction of
(2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
(2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
Compound characteristics
| Compound ID: | F061-1915 |
| Compound Name: | (2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone |
| Molecular Weight: | 535.66 |
| Molecular Formula: | C29 H33 N3 O5 S |
| Smiles: | Cc1cc(C)c(/C=C/c2c(c(C)no2)S(N2CCCC(C2)C(N2CCOc3ccccc23)=O)(=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.726 |
| logD: | 4.726 |
| logSw: | -4.5006 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.662 |
| InChI Key: | FYBYOIPMTKHQDI-QHCPKHFHSA-N |