4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | F053-0653 |
| Compound Name: | 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NS(c1ccc2c(c1)N(CCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1792 |
| logD: | -3.8059 |
| logSw: | -2.4754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.322 |
| InChI Key: | VYUDCNIWSQBSKG-UHFFFAOYSA-N |