N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | K415-0131 |
| Compound Name: | N-{4-[5-(4-bromophenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 463.29 |
| Molecular Formula: | C22 H15 Br N4 O3 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1ccc(cc1)n1c(cnn1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1459 |
| logD: | 5.1459 |
| logSw: | -5.3897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.429 |
| InChI Key: | LXHFJIIGDNIVIG-UHFFFAOYSA-N |