N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | F019-3367 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nnc(c2cc3cccc(c3o2)OC)n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7301 |
| logD: | 3.73 |
| logSw: | -4.0106 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.685 |
| InChI Key: | ZHRFMZUPIAIICS-LBPRGKRZSA-N |