methyl 4-[2-methyl-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-methyl-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
methyl 4-[2-methyl-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate
Compound characteristics
| Compound ID: | E912-0590 |
| Compound Name: | methyl 4-[2-methyl-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamido]benzoate |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C21 H22 N2 O6 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(C(C)S2)=O)(=O)=O)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5944 |
| logD: | 2.5928 |
| logSw: | -3.1933 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.417 |
| InChI Key: | SOVHPIKATTWUNM-UHFFFAOYSA-N |