N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2747 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C20 H21 N7 O S2 |
| Smiles: | CCc1nnc(NC(CSc2nnc(Cc3cccn3C)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3053 |
| logD: | 3.2664 |
| logSw: | -3.5906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.776 |
| InChI Key: | VIVQWMZYOPUVGH-UHFFFAOYSA-N |