N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}thiophene-2-carboxamide
N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V029-1621 |
| Compound Name: | N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}thiophene-2-carboxamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C18 H18 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2cccc(c2)[N+]([O-])=O)no1)NC(c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0561 |
| logD: | 5.0561 |
| logSw: | -4.7034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.081 |
| InChI Key: | XHLRQLCCGXLHAM-UHFFFAOYSA-N |