AC1MRPH3
1-(2,2-dimethyloxan-4-yl)-4-(4-propan-2-yloxyphenyl)-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-[4-(PROPAN-2-YLOXY)PHENYL]-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|1-(2,2-dimethyloxan-4-yl)-4-(4-propan-2-yloxyphenyl)-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-(4-isopropoxyphenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-[4-(propan-2-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
| Molecular Formula | C22H29N3O4S |
|---|---|
| Molecular Weight | 431.18787 g/mol |
| LogP | 3.8684 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.18787 |
| Monoisotopic Mass | 431.18787 |
| Heavy Atoms | 30 |
| Complexity | 977.25916 |
Chemical Identifiers
| CAS Number | 797015-73-7 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCOC(C4)(C)C |
Product Overview
AC1MRPH3 (CAS 797015-73-7), with molecular formula C22H29N3O4S and molecular weight 431.18787 g/mol. IUPAC: 1-(2,2-dimethyloxan-4-yl)-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
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