AC1MPPRR
1-cyclopentyl-4-(4-pentoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
Also Known As: 1-cyclopentyl-3-hydroxy-4-(4-(pentyloxy)phenyl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one|1-cyclopentyl-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one|1-cyclopentyl-4-(4-pentoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CAS: 797015-63-5
| Molecular Formula | C22H29N3O3S |
|---|---|
| Molecular Weight | 415.19296 g/mol |
| LogP | 4.6352 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.19296 |
| Monoisotopic Mass | 415.19296 |
| Heavy Atoms | 29 |
| Complexity | 897.0166 |
Chemical Identifiers
| CAS Number | 797015-63-5 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCC4 |
Product Overview
AC1MPPRR (CAS 797015-63-5), with molecular formula C22H29N3O3S and molecular weight 415.19296 g/mol. IUPAC: 1-cyclopentyl-4-(4-pentoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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