methyl 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]benzoate
methyl 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | F053-0666 |
| Compound Name: | methyl 4-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]benzoate |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C18 H18 N2 O5 S2 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(Nc1ccc(cc1)C(=O)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7559 |
| logD: | 2.1716 |
| logSw: | -3.4617 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.114 |
| InChI Key: | ROJDJVJDXCVQDM-UHFFFAOYSA-N |