2-nitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
2-nitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
2-nitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 0800-1193 |
| Compound Name: | 2-nitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C14 H8 N6 O5 S2 |
| Smiles: | C(\c1ccc([N+]([O-])=O)s1)=N/c1nnc(NC(c2ccccc2[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3638 |
| logD: | -0.1979 |
| logSw: | -4.0811 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.875 |
| InChI Key: | QMXJJQZQYINMPM-UHFFFAOYSA-N |