N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0800-1248 |
| Compound Name: | N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 483.28 |
| Molecular Formula: | C14 H7 Br N6 O5 S2 |
| Smiles: | C(\c1ccc(s1)[Br])=N/c1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3315 |
| logD: | 0.9433 |
| logSw: | -4.4312 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.824 |
| InChI Key: | NFCXNVQDHWBCHW-UHFFFAOYSA-N |