(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Chemical Structure Depiction of
(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | G637-0641 |
| Compound Name: | (6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Smiles: | Cc1ccc(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(N2CCOc3ccc(C)cc23)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5396 |
| logD: | 4.5396 |
| logSw: | -4.381 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.729 |
| InChI Key: | MUPJZLSCWPTPLY-UHFFFAOYSA-N |