2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-3794 |
| Compound Name: | 2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C23 H19 N5 O2 S3 |
| Smiles: | C(c1ccco1)NC(CSc1nnc(CSc2nc3ccccc3s2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8693 |
| logD: | 4.8693 |
| logSw: | -4.8423 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.99 |
| InChI Key: | KYMSSDFDJXWIEC-UHFFFAOYSA-N |