N-(3,4-dimethoxyphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
N-(3,4-dimethoxyphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide
Compound characteristics
| Compound ID: | E699-2324 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C20 H22 N2 O6 S2 |
| Smiles: | CC(CC(Nc1ccc(c(c1)OC)OC)=O)S(c1ccc2c(c1)NC(CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5532 |
| logD: | 1.5526 |
| logSw: | -2.4023 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.97 |
| InChI Key: | ASWPNLHKWGOFAW-LBPRGKRZSA-N |