3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-7118 |
| Compound Name: | 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 393.36 |
| Molecular Formula: | C18 H15 N7 O4 |
| Smiles: | C(c1ccc(cc1)n1cccc1)NC(c1nc(Cn2ccc(n2)[N+]([O-])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5166 |
| logD: | 1.5166 |
| logSw: | -2.3199 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.811 |
| InChI Key: | UBFFOGHEXVQPOF-UHFFFAOYSA-N |