N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C663-0142 |
| Compound Name: | N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C21 H17 N7 O2 S3 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CN3C(=O)Sc4ccccc34)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8174 |
| logD: | 2.7766 |
| logSw: | -3.2808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.034 |
| InChI Key: | DBHCEMYRCCUBRQ-UHFFFAOYSA-N |