N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-5-bromopyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-5-bromopyridine-3-carboxamide
N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-5-bromopyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0092 |
| Compound Name: | N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-5-bromopyridine-3-carboxamide |
| Molecular Weight: | 394.27 |
| Molecular Formula: | C13 H8 Br N5 O S2 |
| Smiles: | c1cc(c2c(c1)nsn2)NC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5906 |
| logD: | 3.5699 |
| logSw: | -3.6948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.102 |
| InChI Key: | UOTSZKLGZCIPQW-UHFFFAOYSA-N |