1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-2012 |
| Compound Name: | 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(prop-2-en-1-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 438.28 |
| Molecular Formula: | C20 H16 Br N5 O2 |
| Smiles: | Cc1c(C(NCC=C)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Br])on2 |
| Stereo: | ACHIRAL |
| logP: | 3.9634 |
| logD: | 3.9634 |
| logSw: | -4.1586 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.091 |
| InChI Key: | LVZFUHOXOPPIJA-UHFFFAOYSA-N |