3-(3-bromophenyl)-5-{[(2-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3-bromophenyl)-5-{[(2-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3-bromophenyl)-5-{[(2-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8007-4475 |
| Compound Name: | 3-(3-bromophenyl)-5-{[(2-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C18 H15 Br N4 O2 S |
| Smiles: | C=CCn1c(c2cccc(c2)[Br])nnc1SCc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.532 |
| logD: | 5.532 |
| logSw: | -5.9731 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.3 |
| InChI Key: | RLQXUASKEYVZPV-UHFFFAOYSA-N |