N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | P937-4167 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | C1CN(CC1Cc1nnc(c2ccccc2)[nH]1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3927 |
| logD: | 2.3571 |
| logSw: | -3.1111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.334 |
| InChI Key: | SOUMHTXLGYPVBE-HNNXBMFYSA-N |