3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(3,4,5-trimethoxybenzamido)ethyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(3,4,5-trimethoxybenzamido)ethyl]-1,2,4-oxadiazole-5-carboxamide
3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(3,4,5-trimethoxybenzamido)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8018-6092 |
| Compound Name: | 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-[2-(3,4,5-trimethoxybenzamido)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 475.42 |
| Molecular Formula: | C19 H21 N7 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCCNC(c1nc(Cn2cc(cn2)[N+]([O-])=O)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4257 |
| logD: | -0.4257 |
| logSw: | -1.6142 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 152.824 |
| InChI Key: | CDIIZLAHOUFFOB-UHFFFAOYSA-N |