AC1N5DUZ
methyl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41021696|methyl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|METHYL 2-({[7-(DIFLUOROMETHYL)-5-PHENYLPYRAZOLO[1,5-A]PYRIMIDIN-3-YL]CARBONYL}AMINO)-6-(TERT-PENTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methyl 2-(7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamido)-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C29H30F2N4O3S |
|---|---|
| Molecular Weight | 552.2007 g/mol |
| LogP | 6.9754 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.2007 |
| Monoisotopic Mass | 552.2007 |
| Heavy Atoms | 39 |
| Complexity | 1545.1493 |
Chemical Identifiers
| CAS Number | 445035-11-0 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 |
Product Overview
AC1N5DUZ (CAS 445035-11-0), with molecular formula C29H30F2N4O3S and molecular weight 552.2007 g/mol. IUPAC: methyl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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