5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0623 |
| Compound Name: | 5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)Cc1nnc(C(Nc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5511 |
| logD: | 2.551 |
| logSw: | -3.0875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.644 |
| InChI Key: | FOXSNUAOZBXOKF-UHFFFAOYSA-N |