AC1N52AB
propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
Also Known As: AK-968/40732309|Propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate|ISOPROPYL 4-(4-CHLOROPHENYL)-5-METHYL-2-(PYRAZINE-2-AMIDO)THIOPHENE-3-CARBOXYLATE|isopropyl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carboxamido)thiophene-3-carboxylate|isopropyl 4-(4-chlorophenyl)-5-methyl-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate|methylethyl 4-(4-chlorophenyl)-5-methyl-2-(pyrazin-2-ylcarbonylamino)thiophene -3-carboxylate|propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-[(pyrazin-2-ylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C20H18ClN3O3S |
|---|---|
| Molecular Weight | 415.07574 g/mol |
| LogP | 4.98442 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.07574 |
| Monoisotopic Mass | 415.07574 |
| Heavy Atoms | 28 |
| Complexity | 1001.54034 |
Chemical Identifiers
| CAS Number | 445017-96-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=NC=CN=C2)C(=O)OC(C)C)C3=CC=C(C=C3)Cl |
Product Overview
AC1N52AB (CAS 445017-96-9), with molecular formula C20H18ClN3O3S and molecular weight 415.07574 g/mol. IUPAC: propan-2-yl 4-(4-chlorophenyl)-5-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.