AC1M00YS
ethyl 7-butyl-11-methyl-2-oxo-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43455096|ethyl 1-butyl-10-methyl-5-oxo-2-[(2-thienylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate|Ethyl 7-butyl-11-methyl-2-oxo-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|(Z)-ethyl 1-butyl-10-methyl-5-oxo-2-((thiophene-2-carbonyl)imino)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate|ethyl (2Z)-1-butyl-10-methyl-5-oxo-2-[(thiophen-2-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C24H24N4O4S |
|---|---|
| Molecular Weight | 464.15182 g/mol |
| LogP | 3.73702 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.15182 |
| Monoisotopic Mass | 464.15182 |
| Heavy Atoms | 33 |
| Complexity | 1482.6512 |
Chemical Identifiers
| CAS Number | 845663-99-2 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CS3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AC1M00YS (CAS 845663-99-2), with molecular formula C24H24N4O4S and molecular weight 464.15182 g/mol. IUPAC: ethyl 7-butyl-11-methyl-2-oxo-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
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