3,5-dimethyl-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
3,5-dimethyl-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
3,5-dimethyl-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 0800-1198 |
| Compound Name: | 3,5-dimethyl-N-(5-{[(5-nitrothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C16 H13 N5 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)C(Nc1nnc(/N=C/c2ccc([N+]([O-])=O)s2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5252 |
| logD: | 2.3345 |
| logSw: | -4.3661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.794 |
| InChI Key: | IZPSATCKSVWFDP-UHFFFAOYSA-N |