1-(5-bromothiophen-2-yl)-2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(5-bromothiophen-2-yl)-2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(5-bromothiophen-2-yl)-2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-3828 |
| Compound Name: | 1-(5-bromothiophen-2-yl)-2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 472.81 |
| Molecular Formula: | C17 H15 Br Cl N3 O2 S2 |
| Smiles: | Cc1cc(ccc1[Cl])OCc1nnc(n1C)SCC(c1ccc(s1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9674 |
| logD: | 4.9674 |
| logSw: | -5.0463 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.791 |
| InChI Key: | XGADZLLLJALMAJ-UHFFFAOYSA-N |