AC1MYQ9X
4-(4-fluorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: SR-01000154290-1|A3757/0159328|4-(4-fluorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione|4-(4-FLUOROPHENYL)-3-HYDROXY-1-(PENTAN-2-YL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|4-(4-fluorophenyl)-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one|4-(4-fluorophenyl)-3-hydroxy-1-(pentan-2-yl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|4-(4-fluorophenyl)-7-hydroxy-1-(pentan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C17H20FN3O2S |
|---|---|
| Molecular Weight | 349.12604 g/mol |
| LogP | 3.4513 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.12604 |
| Monoisotopic Mass | 349.12604 |
| Heavy Atoms | 24 |
| Complexity | 797.1572 |
Chemical Identifiers
| CAS Number | 577987-46-3 |
|---|---|
| SMILES | CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)F)C(=O)N1 |
Product Overview
AC1MYQ9X (CAS 577987-46-3), with molecular formula C17H20FN3O2S and molecular weight 349.12604 g/mol. IUPAC: 4-(4-fluorophenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.