N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0593 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-ethoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C20 H19 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0582 |
| logD: | 3.0574 |
| logSw: | -3.5372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.193 |
| InChI Key: | HQOVYPCTAOKHHJ-UHFFFAOYSA-N |