N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0095 |
| Compound Name: | N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C30 H33 N5 O6 S |
| Smiles: | CC(c1ccc(cc1)N(C(C(NC1CCCCC1)=O)c1cn(C)nc1C)C(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6968 |
| logD: | 1.6968 |
| logSw: | -2.6398 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.499 |
| InChI Key: | WRGKSHIIQKCRSH-MUUNZHRXSA-N |