1-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D731-0042 |
| Compound Name: | 1-(4-bromophenyl)-N-[(oxolan-2-yl)methyl]-5-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 393.28 |
| Molecular Formula: | C17 H21 Br N4 O2 |
| Smiles: | CC(C)c1c(C(NCC2CCCO2)=O)nnn1c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1865 |
| logD: | 3.1865 |
| logSw: | -3.3509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.179 |
| InChI Key: | LTUJXLCLBMSZDW-CQSZACIVSA-N |