(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
Chemical Structure Depiction of
(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
Compound characteristics
| Compound ID: | F061-1914 |
| Compound Name: | (2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone |
| Molecular Weight: | 549.69 |
| Molecular Formula: | C30 H35 N3 O5 S |
| Smiles: | CC1CN(C(C2CCCN(C2)S(c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)(=O)=O)=O)c2ccccc2O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.094 |
| logD: | 5.094 |
| logSw: | -4.8319 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.76 |
| InChI Key: | CWIZKMATNKXVHT-UHFFFAOYSA-N |