N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F854-0758 |
| Compound Name: | N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CC(C)Cc1nnc(C(Nc2cccc(c2)C(NCc2ccc3c(c2)OCO3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0036 |
| logD: | 4.0035 |
| logSw: | -4.1539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.858 |
| InChI Key: | LKFOMDQROAGCJX-UHFFFAOYSA-N |