AC1NZFVD
methyl 3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate
Also Known As: KS-00003FD8|9B-119|methyl 3-{[(5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}-2-thiophenecarboxylate|methyl 3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate|Methyl 3-[(3-oxo-5-phenyl-2H-pyrazol-4-ylidene)methylamino]thiophene-2-carboxylate|methyl 3-[(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methylamino]thiophene-2-carboxylate|methyl 3-[[(Z)-(5-oxo-3-phenyl-1H-pyrazol-4-ylidene)methyl]amino]thiophene-2-carboxylate|methyl 3-{[(5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)methyl]amino}thiophene-2-carboxylate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.06775 g/mol |
| LogP | 2.9687 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Monoisotopic Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 906.05585 |
Chemical Identifiers
| CAS Number | 338975-67-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N=CC2=C(NNC2=O)C3=CC=CC=C3 |
Product Overview
AC1NZFVD (CAS 338975-67-0), with molecular formula C16H13N3O3S and molecular weight 327.06775 g/mol. IUPAC: methyl 3-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)methylideneamino]thiophene-2-carboxylate.