AC1NBDDA
methyl 2-[[2-[[5-[(4-methoxyphenyl)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-methoxybenzyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-3-carboxylate|methyl 2-(2-{5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-ylthio} acetylamino)thiophene-3-carboxylate|methyl 2-[({[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]thiophene-3-carboxylate|methyl 2-[[2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate
| Molecular Formula | C21H22N4O4S2 |
|---|---|
| Molecular Weight | 458.10825 g/mol |
| LogP | 3.6424 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.10825 |
| Monoisotopic Mass | 458.10825 |
| Heavy Atoms | 31 |
| Complexity | 1059.7766 |
Chemical Identifiers
| CAS Number | 590357-58-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CS3)C(=O)OC |
Product Overview
AC1NBDDA (CAS 590357-58-7), with molecular formula C21H22N4O4S2 and molecular weight 458.10825 g/mol. IUPAC: methyl 2-[[2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate.