AC1NKTZQ
1-(2,2-dimethyloxan-4-yl)-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-(2,2-DIMETHYLOXAN-4-YL)-3-HYDROXY-4-(3-NITROPHENYL)-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|1-(2,2-dimethyloxan-4-yl)-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione|1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-(3-nitrophenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(3-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol|1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7(2H,6H)-dione
| Molecular Formula | C19H22N4O5S |
|---|---|
| Molecular Weight | 418.1311 g/mol |
| LogP | 2.9894 |
| Topological Polar Surface Area | 119.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.1311 |
| Monoisotopic Mass | 418.1311 |
| Heavy Atoms | 29 |
| Complexity | 1027.847 |
Chemical Identifiers
| CAS Number | 714285-90-2 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2)C |
Product Overview
AC1NKTZQ (CAS 714285-90-2), with molecular formula C19H22N4O5S and molecular weight 418.1311 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
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