3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
Compound ID: | V010-5901 |
Compound Name: | 3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
Molecular Weight: | 337.44 |
Molecular Formula: | C19 H19 N3 O S |
Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.3481 |
logD: | 4.3481 |
logSw: | -4.3685 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 31.763 |
InChI Key: | ZSYACLQDUZTGEC-UHFFFAOYSA-N |