5-bromo-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pyridine-3-carboxamide
5-bromo-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0070 |
| Compound Name: | 5-bromo-N-[(5-methyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]pyridine-3-carboxamide |
| Molecular Weight: | 408.3 |
| Molecular Formula: | C14 H10 Br N5 O S2 |
| Smiles: | Cc1ccc2c(c1NC(NC(c1cc(cnc1)[Br])=O)=S)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 3.493 |
| logD: | 3.4257 |
| logSw: | -3.5953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.404 |
| InChI Key: | GTYXLPIKTCHWKI-UHFFFAOYSA-N |