5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0435 |
| Compound Name: | 5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C20 H17 Cl N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(COCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8741 |
| logD: | 2.8708 |
| logSw: | -3.5028 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.079 |
| InChI Key: | KPQRHRCEONMJGO-UHFFFAOYSA-N |