N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide
N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D473-2066 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(propan-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CC(C)c1cc(C(Nc2cccc(c2)c2nc3ccccc3o2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7068 |
| logD: | 3.7068 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.505 |
| InChI Key: | IPRBYYJRZHMZQQ-GOSISDBHSA-N |