4-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
Compound ID: | V007-2757 |
Compound Name: | 4-[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
Molecular Weight: | 531.47 |
Molecular Formula: | C27 H23 Br N4 O S |
Smiles: | COCCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 6.7736 |
logD: | 6.7726 |
logSw: | -6.071 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.621 |
InChI Key: | WDVBPIYHZURDNJ-UHFFFAOYSA-N |