3-(3-bromophenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3-bromophenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3-bromophenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8010-1047 |
| Compound Name: | 3-(3-bromophenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 461.34 |
| Molecular Formula: | C19 H17 Br N4 O3 S |
| Smiles: | COc1ccc(CSc2nnc(c3cccc(c3)[Br])n2CC=C)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9682 |
| logD: | 4.9682 |
| logSw: | -4.8028 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.93 |
| InChI Key: | HWWXPDCLISHZCA-UHFFFAOYSA-N |