3-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
3-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-6975 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-{[4-(1H-pyrrol-1-yl)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(C(NCc2ccc(cc2)n2cccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.694 |
| logD: | 3.694 |
| logSw: | -4.0214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.576 |
| InChI Key: | ZKIIYBDQJSXJFA-UHFFFAOYSA-N |