N-(2H-1,3-benzodioxol-5-yl)-5-{[(5-bromofuran-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(5-bromofuran-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(5-bromofuran-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L061-0690 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(5-bromofuran-2-carbonyl)amino]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 451.25 |
| Molecular Formula: | C16 H11 Br N4 O5 S |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5094 |
| logD: | 2.5085 |
| logSw: | -3.0595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.784 |
| InChI Key: | GERWIPZAMCTUSV-UHFFFAOYSA-N |