2-[4-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide
Chemical Structure Depiction of
2-[4-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide
2-[4-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1404 |
| Compound Name: | 2-[4-(1,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(CN1CCN(CC1)S(c1cnn(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9796 |
| logD: | 0.9792 |
| logSw: | -2.5117 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.533 |
| InChI Key: | YQCYSYVFGXELCX-UHFFFAOYSA-N |