N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0628 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 319.16 |
| Molecular Formula: | C13 H11 Br N4 O |
| Smiles: | C(c1ccc(cc1)[Br])Nc1nc(c2ccco2)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8779 |
| logD: | 2.8777 |
| logSw: | -3.0471 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.97 |
| InChI Key: | CCPTTYUVRCIIFI-UHFFFAOYSA-N |