N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 0800-1241 |
| Compound Name: | N-(5-{[(5-bromothiophen-2-yl)methylidene]amino}-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 438.28 |
| Molecular Formula: | C14 H8 Br N5 O3 S2 |
| Smiles: | C(\c1ccc(s1)[Br])=N/c1nnc(NC(c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.2926 |
| logD: | 2.9872 |
| logSw: | -4.5161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.443 |
| InChI Key: | VKLKRUBLAXFOKJ-UHFFFAOYSA-N |