N-(2H-1,3-benzodioxol-5-yl)-5-{[(2,4-difluorophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(2,4-difluorophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(2,4-difluorophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0618 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(2,4-difluorophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 433.39 |
| Molecular Formula: | C18 H13 F2 N5 O4 S |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6061 |
| logD: | 2.6052 |
| logSw: | -3.2272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.372 |
| InChI Key: | GCIAYZZTQYEIIW-UHFFFAOYSA-N |