AC1LX0CD
methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_005096|HMS601H14|UPCMLD0ENAT0513-4733:001|AF-399/15031065|methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|SR-01000446498-1|methyl 2-{[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|METHYL 2-{[2-([1,2,4]TRIAZOLO[3,4-B][1,3]BENZOTHIAZOL-3-YLSULFANYL)ACETYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H18N4O3S3 |
|---|---|
| Molecular Weight | 458.0541 g/mol |
| LogP | 4.4017 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.0541 |
| Monoisotopic Mass | 458.0541 |
| Heavy Atoms | 30 |
| Complexity | 1273.286 |
Chemical Identifiers
| CAS Number | 314261-23-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
AC1LX0CD (CAS 314261-23-9), with molecular formula C20H18N4O3S3 and molecular weight 458.0541 g/mol. IUPAC: methyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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