1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-2045 |
| Compound Name: | 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C21 H20 Br N5 O2 |
| Smiles: | CCCCNC(c1c(C)n(c2ccc3c(c2)c(c2ccc(cc2)[Br])on3)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9462 |
| logD: | 4.9462 |
| logSw: | -4.6955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.091 |
| InChI Key: | PCLGAOZGUGUOGT-UHFFFAOYSA-N |