N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S845-0256 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | C1CC(c2nncn2c2ccccc2)N(C1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4644 |
| logD: | 1.4644 |
| logSw: | -2.087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.134 |
| InChI Key: | PGMPFENSHLQULY-KRWDZBQOSA-N |