2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | G865-0006 |
| Compound Name: | 2-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H20 Br N3 O3 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(COc2ccc(cc2)[Br])n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4029 |
| logD: | 4.4029 |
| logSw: | -4.3508 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.485 |
| InChI Key: | ILKUDSTUGYYTDT-UHFFFAOYSA-N |