3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]butanamide
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | E699-3199 |
| Compound Name: | 3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(NCc1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8784 |
| logD: | 2.8784 |
| logSw: | -3.3436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.088 |
| InChI Key: | KQADCONZQYBCMR-UHFFFAOYSA-N |