AC1NZ6BS
4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 4-(4-BUTOXYPHENYL)-1-(2,2-DIMETHYLOXAN-4-YL)-3-METHYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE|4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one|4-(4-butoxyphenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol|4-(4-butoxyphenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one
| Molecular Formula | C24H33N3O3S |
|---|---|
| Molecular Weight | 443.22427 g/mol |
| LogP | 5.27522 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.22427 |
| Monoisotopic Mass | 443.22427 |
| Heavy Atoms | 31 |
| Complexity | 922.8959 |
Chemical Identifiers
| CAS Number | 577762-65-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(N=C3C)C4CCOC(C4)(C)C |
Product Overview
AC1NZ6BS (CAS 577762-65-3), with molecular formula C24H33N3O3S and molecular weight 443.22427 g/mol. IUPAC: 4-(4-butoxyphenyl)-1-(2,2-dimethyloxan-4-yl)-3-methyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.