AC1LD7UW
1-cycloheptyl-4-(3,4-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: NCGC00088969-02|1-CYCLOHEPTYL-4-(3,4-DIMETHOXYPHENYL)-3-HYDROXY-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|1-cycloheptyl-4-(3,4-dimethoxyphenyl)-3-hydroxy-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|1-cycloheptyl-4-(3,4-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione|1-cycloheptyl-4-(3,4-dimethoxyphenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
| Molecular Formula | C21H27N3O4S |
|---|---|
| Molecular Weight | 417.17224 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.17224 |
| Monoisotopic Mass | 417.17224 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 577761-68-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4)OC |
| InChIKey | XFXOCFNPOXNWPI-UHFFFAOYSA-N |
Product Overview
AC1LD7UW (CAS 577761-68-3), with molecular formula C21H27N3O4S and molecular weight 417.17224 g/mol. IUPAC: 1-cycloheptyl-4-(3,4-dimethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
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