AC1MK8YS
5-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: BAS 06208279|5-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid|AP-845/42065538|SR-01000317746-1|5-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid|5-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid|5-(5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid|5-[5-(3,4-Dimethoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-5-oxo-pentanoic acid
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12494 g/mol |
| LogP | 3.6979 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.12494 |
| Monoisotopic Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 878.72614 |
Chemical Identifiers
| CAS Number | 511237-89-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CS3)OC |
Product Overview
AC1MK8YS (CAS 511237-89-1), with molecular formula C20H22N2O5S and molecular weight 402.12494 g/mol. IUPAC: 5-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.