N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-bromobenzamide
Chemical Structure Depiction of
N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-bromobenzamide
N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 8008-6267 |
| Compound Name: | N-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-4-bromobenzamide |
| Molecular Weight: | 433.35 |
| Molecular Formula: | C17 H13 Br N4 O S2 |
| Smiles: | C(c1ccccc1)c1nnc(NC(NC(c2ccc(cc2)[Br])=O)=S)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9446 |
| logD: | 4.9381 |
| logSw: | -5.0004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.008 |
| InChI Key: | UDCRRQUMQFOZRM-UHFFFAOYSA-N |