(6-methyl-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
(6-methyl-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
(6-methyl-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: | F061-1913 |
| Compound Name: | (6-methyl-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: | 549.69 |
| Molecular Formula: | C30 H35 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(C1CCCN(C1)S(c1c(C)noc1/C=C/c1c(C)cc(C)cc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2167 |
| logD: | 5.2167 |
| logSw: | -4.9744 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.662 |
| InChI Key: | YVVIPYWNGOFOMB-DEOSSOPVSA-N |