3-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
3-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J011-0390 |
| Compound Name: | 3-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C21 H16 Cl N5 O S2 |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3c(c4ccccc4s3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5825 |
| logD: | 4.5825 |
| logSw: | -4.7871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.13 |
| InChI Key: | GCHLEODQHJABLZ-UHFFFAOYSA-N |