methyl 4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]benzoate
methyl 4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | F818-0612 |
| Compound Name: | methyl 4-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)amino]benzoate |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C16 H14 N2 O5 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.348 |
| logD: | 3.2486 |
| logSw: | -3.9642 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.672 |
| InChI Key: | JXABTIOQRFFDJN-UHFFFAOYSA-N |