(6-chloro-2-ethyl-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-chloro-2-ethyl-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-chloro-2-ethyl-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: | G637-0758 |
| Compound Name: | (6-chloro-2-ethyl-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: | 570.11 |
| Molecular Formula: | C29 H32 Cl N3 O5 S |
| Smiles: | CCC1CN(C(C2CCN(CC2)S(c2c(C)noc2/C=C/c2ccc(C)cc2)(=O)=O)=O)c2cc(ccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4129 |
| logD: | 5.4129 |
| logSw: | -6.024 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.021 |
| InChI Key: | SNHTUOQCBSOJAS-XMMPIXPASA-N |