N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0572 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxyphenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 427.44 |
| Molecular Formula: | C19 H17 N5 O5 S |
| Smiles: | COc1cccc(c1)NC(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7557 |
| logD: | 2.7549 |
| logSw: | -3.3969 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.613 |
| InChI Key: | JPZMENDBOYBWNA-UHFFFAOYSA-N |