(2-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
(2-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
(2-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: | G637-0642 |
| Compound Name: | (2-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: | CC1CN(C(C2CCN(CC2)S(c2c(C)noc2/C=C/c2ccc(C)cc2)(=O)=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4169 |
| logD: | 4.4169 |
| logSw: | -4.3125 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.826 |
| InChI Key: | BBUAMBQCLNEVSW-HXUWFJFHSA-N |