methyl 2-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
methyl 2-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate
Compound characteristics
| Compound ID: | E539-0415 |
| Compound Name: | methyl 2-[4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamido]benzoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC1CN(C(CCC(Nc2ccccc2C(=O)OC)=O)=O)c2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0992 |
| logD: | 3.0691 |
| logSw: | -3.5944 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.583 |
| InChI Key: | ZBHNTFKOBRTEEL-AWEZNQCLSA-N |