N-[(4-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E699-3196 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(NCc1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4374 |
| logD: | 2.4374 |
| logSw: | -2.9658 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.632 |
| InChI Key: | CSUKHLBQGIDZQU-UHFFFAOYSA-N |