N-{2-[(2H-1,3-benzodioxole-5-carbonyl)amino]ethyl}-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(2H-1,3-benzodioxole-5-carbonyl)amino]ethyl}-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-{2-[(2H-1,3-benzodioxole-5-carbonyl)amino]ethyl}-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8018-0994 |
| Compound Name: | N-{2-[(2H-1,3-benzodioxole-5-carbonyl)amino]ethyl}-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 443.37 |
| Molecular Formula: | C18 H17 N7 O7 |
| Smiles: | Cc1cc(nn1Cc1nc(C(NCCNC(c2ccc3c(c2)OCO3)=O)=O)on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.2342 |
| logD: | -0.2342 |
| logSw: | -2.1114 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 145.848 |
| InChI Key: | SDHMRESUEMOCMB-UHFFFAOYSA-N |