5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-1236 |
| Compound Name: | 5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C19 H16 N4 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8758 |
| logD: | 2.8758 |
| logSw: | -3.4107 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.51 |
| InChI Key: | RAVYKHDNYNROQI-UHFFFAOYSA-N |