AC1N7H62
methyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AK-968/41021751|methyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|METHYL 2-({[7-(DIFLUOROMETHYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL]CARBONYL}AMINO)-6-(TERT-PENTYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methyl 2-(7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamido)-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C23H27F2N5O3S |
|---|---|
| Molecular Weight | 491.18027 g/mol |
| LogP | 5.01182 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.18027 |
| Monoisotopic Mass | 491.18027 |
| Heavy Atoms | 34 |
| Complexity | 1267.2546 |
Chemical Identifiers
| CAS Number | 445035-40-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F |
Product Overview
AC1N7H62 (CAS 445035-40-5), with molecular formula C23H27F2N5O3S and molecular weight 491.18027 g/mol. IUPAC: methyl 2-[[7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.