(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
Chemical Structure Depiction of
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
Compound characteristics
| Compound ID: | G637-3735 |
| Compound Name: | (1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone |
| Molecular Weight: | 571.64 |
| Molecular Formula: | C29 H31 F2 N3 O5 S |
| Smiles: | CCC1CN(C(C2CCN(CC2)S(c2c(C)noc2/C=C/c2ccc(cc2F)F)(=O)=O)=O)c2cc(C)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0676 |
| logD: | 5.0676 |
| logSw: | -4.769 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.021 |
| InChI Key: | HAJFMVWNWIHDJF-HSZRJFAPSA-N |