1-(adamantan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3347 |
| Compound Name: | 1-(adamantan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H24 N4 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2ccc3c(c2)OCCO3)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3426 |
| logD: | 3.2874 |
| logSw: | -3.6612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.829 |
| InChI Key: | IXOUCGMLSUYCET-UHFFFAOYSA-N |