N-[3-(1,3-dioxan-2-yl)phenyl]-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[3-(1,3-dioxan-2-yl)phenyl]-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
N-[3-(1,3-dioxan-2-yl)phenyl]-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8019-8892 |
| Compound Name: | N-[3-(1,3-dioxan-2-yl)phenyl]-5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | Cc1c(C(Nc2cccc(c2)C2OCCCO2)=O)nn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9976 |
| logD: | 1.9975 |
| logSw: | -2.6655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.426 |
| InChI Key: | PAQLHMFGIODPNZ-UHFFFAOYSA-N |