(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Chemical Structure Depiction of
(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | G637-3724 |
| Compound Name: | (6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone |
| Molecular Weight: | 592.06 |
| Molecular Formula: | C28 H28 Cl F2 N3 O5 S |
| Smiles: | CCC1CN(C(C2CCN(CC2)S(c2c(C)noc2/C=C/c2ccc(cc2F)F)(=O)=O)=O)c2cc(ccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1922 |
| logD: | 5.1922 |
| logSw: | -5.5013 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.021 |
| InChI Key: | PUTMBKCOJJMFTN-JOCHJYFZSA-N |