N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methylbutyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methylbutyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methylbutyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0625 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(3-methylbutyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C17 H21 N5 O4 S |
| Smiles: | CC(C)CCNC(NCc1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2063 |
| logD: | 2.2054 |
| logSw: | -3.0389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.505 |
| InChI Key: | SSLNDAVLFXGEKS-UHFFFAOYSA-N |