AC1M3JQS
methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/40920999|SR-01000010612-1|F1143-0175|methyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|METHYL 2-(2-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H18N4O3S2 |
|---|---|
| Molecular Weight | 402.08203 g/mol |
| LogP | 3.187 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.08203 |
| Monoisotopic Mass | 402.08203 |
| Heavy Atoms | 27 |
| Complexity | 1011.3732 |
Chemical Identifiers
| CAS Number | 379239-72-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
AC1M3JQS (CAS 379239-72-2), with molecular formula C18H18N4O3S2 and molecular weight 402.08203 g/mol. IUPAC: methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.