methyl N-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-carbonyl)-beta-alaninate
methyl N-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | E628-1016 |
| Compound Name: | methyl N-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-carbonyl)-beta-alaninate |
| Molecular Weight: | 294.37 |
| Molecular Formula: | C14 H18 N2 O3 S |
| Smiles: | CC1CN(C(NCCC(=O)OC)=O)c2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3696 |
| logD: | 2.3696 |
| logSw: | -2.6881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.32 |
| InChI Key: | JZQOHTLXXBYGAA-JTQLQIEISA-N |