N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F735-0492 |
| Compound Name: | N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCCc1nnc(C(Nc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3939 |
| logD: | 3.3871 |
| logSw: | -3.7798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.858 |
| InChI Key: | OOCGVJYRZINBFG-UHFFFAOYSA-N |