N-benzyl-1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
N-benzyl-1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1874 |
| Compound Name: | N-benzyl-1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 488.34 |
| Molecular Formula: | C24 H18 Br N5 O2 |
| Smiles: | Cc1c(C(NCc2ccccc2)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Br])on2 |
| Stereo: | ACHIRAL |
| logP: | 5.1337 |
| logD: | 5.1337 |
| logSw: | -5.1442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.978 |
| InChI Key: | ZCVWSETYLUFJPA-UHFFFAOYSA-N |