N-[(3-bromophenyl)methyl]-1-(ethanesulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1-(ethanesulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
N-[(3-bromophenyl)methyl]-1-(ethanesulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0392 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1-(ethanesulfonyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 411.27 |
| Molecular Formula: | C15 H15 Br N4 O3 S |
| Smiles: | CCS(n1c(NCc2cccc(c2)[Br])nc(c2ccco2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7734 |
| logD: | 2.7734 |
| logSw: | -3.3265 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.978 |
| InChI Key: | VGJBPXSPZNGCBP-UHFFFAOYSA-N |