1-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
Compound ID: | 7641-2291 |
Compound Name: | 1-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
Molecular Weight: | 436.76 |
Molecular Formula: | C18 H15 Br Cl N3 O S |
Smiles: | CCn1c(c2cccc(c2)[Cl])nnc1SCC(c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.4515 |
logD: | 5.4515 |
logSw: | -5.8868 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 37.212 |
InChI Key: | DFJHGNNYJXNNSI-UHFFFAOYSA-N |