AC1O2HG5
methyl 4-[(Z)-[3-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((3-(2-((3-(1H-imidazol-1-yl)propyl)amino)-2-oxoethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoate|methyl 4-[(Z)-[3-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate|methyl 4-{(Z)-[3-(2-{[3-(1H-imidazol-1-yl)propyl]amino}-2-oxoethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
CAS: 902011-69-2
| Molecular Formula | C20H20N4O4S2 |
|---|---|
| Molecular Weight | 444.0926 g/mol |
| LogP | 2.0774 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.0926 |
| Monoisotopic Mass | 444.0926 |
| Heavy Atoms | 30 |
| Complexity | 971.2025 |
Chemical Identifiers
| CAS Number | 902011-69-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NCCCN3C=CN=C3 |
Product Overview
AC1O2HG5 (CAS 902011-69-2), with molecular formula C20H20N4O4S2 and molecular weight 444.0926 g/mol. IUPAC: methyl 4-[(Z)-[3-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.
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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