N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | 6228-1777 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | CCn1cc(c(C(Nc2ccc3c(c2)OCCO3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7564 |
| logD: | 0.7012 |
| logSw: | -2.2034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.282 |
| InChI Key: | UOGQGPNHRALTMP-UHFFFAOYSA-N |