3,5-dinitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3,5-dinitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
3,5-dinitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 0800-1202 |
| Compound Name: | 3,5-dinitro-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 449.38 |
| Molecular Formula: | C14 H7 N7 O7 S2 |
| Smiles: | C(\c1ccc([N+]([O-])=O)s1)=N/c1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6396 |
| logD: | 0.2515 |
| logSw: | -4.0082 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.557 |
| InChI Key: | TXCCQETZKOADMT-UHFFFAOYSA-N |