N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-methylphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-methylphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-methylphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0612 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-methylphenyl)methyl]carbamamido}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | Cc1ccc(CNC(NCc2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3613 |
| logD: | 2.3604 |
| logSw: | -3.0321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.392 |
| InChI Key: | GSGILRXASCZCMI-UHFFFAOYSA-N |