N-(4-bromophenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y501-0913 |
| Compound Name: | N-(4-bromophenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 509.42 |
| Molecular Formula: | C24 H21 Br N4 O2 S |
| Smiles: | C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4828 |
| logD: | 5.4827 |
| logSw: | -6.6159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.572 |
| InChI Key: | SBGRJJUMTGNDIH-UHFFFAOYSA-N |