N-(2-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioyl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(2-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8009-5401 |
| Compound Name: | N-(2-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinecarbothioyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C22 H18 N6 O4 S2 |
| Smiles: | Cc1nnc(n1c1ccccc1)SCC(NNC(NC(C1=Cc2ccccc2OC1=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4484 |
| logD: | -0.4449 |
| logSw: | -2.2382 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.847 |
| InChI Key: | BMPNTJIBIQRHGE-UHFFFAOYSA-N |