AC1NAGAL
methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate|methyl 2-(2-{5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio} acetylamino)thiophene-3-carboxylate|methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate|methyl 2-{[({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C20H19ClN4O4S2 |
|---|---|
| Molecular Weight | 478.05362 g/mol |
| LogP | 4.2754 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.05362 |
| Monoisotopic Mass | 478.05362 |
| Heavy Atoms | 31 |
| Complexity | 1065.5767 |
Chemical Identifiers
| CAS Number | 590357-20-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl |
Product Overview
AC1NAGAL (CAS 590357-20-3), with molecular formula C20H19ClN4O4S2 and molecular weight 478.05362 g/mol. IUPAC: methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate.