3,4,5-trimethoxy-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
3,4,5-trimethoxy-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 0800-1211 |
| Compound Name: | 3,4,5-trimethoxy-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C17 H15 N5 O6 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(/N=C/c2ccc([N+]([O-])=O)s2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4559 |
| logD: | 3.3125 |
| logSw: | -3.9007 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.772 |
| InChI Key: | QLCBVSDKUQASTL-UHFFFAOYSA-N |