3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid
3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
Also Known As: SR-01000300192-1|3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid|3-((4-allyl-5-((quinolin-8-yloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid|3-({4-allyl-5-[(8-quinolinyloxy)methyl]-4h-1,2,4-triazol-3-yl}thio)propanoic acid|3-[4-prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid|3-({4-(prop-2-en-1-yl)-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.10995 g/mol |
| LogP | 3.1581 |
| Topological Polar Surface Area | 90.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 370.10995 |
| Monoisotopic Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 920.4451 |
Chemical Identifiers
| CAS Number | 690249-75-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCCC(=O)O)COC2=CC=CC3=C2N=CC=C3 |
Product Overview
3-[4-Prop-2-enyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-ylthio]propanoic acid (CAS 690249-75-3), with molecular formula C18H18N4O3S and molecular weight 370.10995 g/mol. IUPAC: 3-[[4-prop-2-enyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid.