methyl [6-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate
Chemical Structure Depiction of
methyl [6-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate
methyl [6-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate
Compound characteristics
Compound ID: | E786-1246 |
Compound Name: | methyl [6-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetate |
Molecular Weight: | 496.99 |
Molecular Formula: | C21 H21 Cl N2 O6 S2 |
Smiles: | CCC1CN(c2cc(ccc2O1)[Cl])S(c1ccc2c(c1)N(CC(=O)OC)C(CS2)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3628 |
logD: | 3.3628 |
logSw: | -3.7321 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 74.865 |
InChI Key: | HSRJBCPVZSQBRZ-CQSZACIVSA-N |