N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxypropyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxypropyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxypropyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0603 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methoxypropyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C16 H19 N5 O5 S |
| Smiles: | COCCCNC(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8722 |
| logD: | 0.8713 |
| logSw: | -2.3135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.847 |
| InChI Key: | QKKSPPQIMXSVBL-UHFFFAOYSA-N |