N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzofuran-2-carboxamide
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | J011-0236 |
| Compound Name: | N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzofuran-2-carboxamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C20 H15 N5 O2 S |
| Smiles: | Cc1nnc2n1nc(c1ccc(CNC(c3cc4ccccc4o3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0096 |
| logD: | 3.0096 |
| logSw: | -3.5156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.476 |
| InChI Key: | XNNYTYBGTLYUGX-UHFFFAOYSA-N |