N-(2H-1,3-benzodioxol-5-yl)-5-({[2-(trifluoromethyl)benzene-1-sulfonyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-({[2-(trifluoromethyl)benzene-1-sulfonyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-({[2-(trifluoromethyl)benzene-1-sulfonyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L063-0480 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-({[2-(trifluoromethyl)benzene-1-sulfonyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 486.45 |
| Molecular Formula: | C18 H13 F3 N4 O5 S2 |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NS(c1ccccc1C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1103 |
| logD: | 2.8644 |
| logSw: | -3.7067 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.203 |
| InChI Key: | IBOICGGHXKEGGL-UHFFFAOYSA-N |