methyl 2-[(4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)amino]benzoate
methyl 2-[(4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C699-1753 |
| Compound Name: | methyl 2-[(4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl)amino]benzoate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C19 H20 N2 O3 S |
| Smiles: | CCN1CCSc2ccc(cc12)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.536 |
| logD: | 3.5238 |
| logSw: | -3.7607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.365 |
| InChI Key: | HRVZIPPAIHRCQL-UHFFFAOYSA-N |