N-(2H-1,3-benzodioxol-5-yl)-5-({[(3-methoxyphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-({[(3-methoxyphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-({[(3-methoxyphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0617 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-({[(3-methoxyphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C20 H19 N5 O5 S |
| Smiles: | COc1cccc(CNC(NCc2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0352 |
| logD: | 2.0343 |
| logSw: | -2.8414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.935 |
| InChI Key: | GJRUUHKYIUCZMY-UHFFFAOYSA-N |