ethyl 4-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
ethyl 4-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
Compound characteristics
Compound ID: | E539-0430 |
Compound Name: | ethyl 4-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate |
Molecular Weight: | 412.51 |
Molecular Formula: | C22 H24 N2 O4 S |
Smiles: | CCOC(c1ccc(cc1)NC(CCC(N1CC(C)Sc2ccccc12)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.976 |
logD: | 3.9758 |
logSw: | -4.0243 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.86 |
InChI Key: | JGGJTCPHAKEUTM-HNNXBMFYSA-N |