3-benzoyl-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-methyl-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-benzoyl-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-methyl-1lambda~6~,2-benzothiazine-1,1(2H)-dione
3-benzoyl-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-methyl-1lambda~6~,2-benzothiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | 5149-0020 |
| Compound Name: | 3-benzoyl-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-methyl-1lambda~6~,2-benzothiazine-1,1(2H)-dione |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC1=C(C(c2ccccc2)=O)N(C)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5309 |
| logD: | -1.069 |
| logSw: | -3.9661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.909 |
| InChI Key: | QADTYDKLMHGHFH-UHFFFAOYSA-N |