AC1LWYNR
propan-2-yl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41021780|isopropyl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|propan-2-yl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|isopropyl 2-(7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|propan-2-yl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H24F2N4O3S |
|---|---|
| Molecular Weight | 510.15372 g/mol |
| LogP | 6.0917 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.15372 |
| Monoisotopic Mass | 510.15372 |
| Heavy Atoms | 36 |
| Complexity | 1446.6727 |
Chemical Identifiers
| CAS Number | 445035-56-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)F)C5=CC=CC=C5 |
Product Overview
AC1LWYNR (CAS 445035-56-3), with molecular formula C26H24F2N4O3S and molecular weight 510.15372 g/mol. IUPAC: propan-2-yl 2-[[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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