AC1MGDMZ
ethyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: CBKinase1_007383|CBKinase1_019783|VU0618407-1|F3394-1170|AO-476/42502631|ethyl 2-(2-((1H-1,2,4-triazol-3-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|BRD-K25092355-001-01-2|ethyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ETHYL 2-[2-(1H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETAMIDO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|ethyl 2-{[(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-{[(1H-1,2,4-triazol-3-ylthio)methyl]carbonylamino}-1-thia-5,6,7,8-tetrahydro-4H-azulene-3-carboxylate
| Molecular Formula | C16H20N4O3S2 |
|---|---|
| Molecular Weight | 380.0977 g/mol |
| LogP | 3.0426 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.0977 |
| Monoisotopic Mass | 380.0977 |
| Heavy Atoms | 25 |
| Complexity | 742.89886 |
Chemical Identifiers
| CAS Number | 690646-68-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=NN3 |
Product Overview
AC1MGDMZ (CAS 690646-68-5), with molecular formula C16H20N4O3S2 and molecular weight 380.0977 g/mol. IUPAC: ethyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
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