AC1O0WBQ
ethyl 4-[4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate
Also Known As: ethyl 4-(4-oxo-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate|(Z)-ethyl 4-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate|ethyl 4-[4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate|ethyl 4-{4-oxo-3-[(4-oxo-3-prop-2-enyl-2-thioxo(1,3-thiazolidin-5-ylidene))met hyl]-5-hydropyridino[1,2-a]pyrimidin-2-yl}piperazinecarboxylate
| Molecular Formula | C22H23N5O4S2 |
|---|---|
| Molecular Weight | 485.11914 g/mol |
| LogP | 2.3602 |
| Topological Polar Surface Area | 87.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.11914 |
| Monoisotopic Mass | 485.11914 |
| Heavy Atoms | 33 |
| Complexity | 1216.978 |
Chemical Identifiers
| CAS Number | 607692-85-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC=C |
Product Overview
AC1O0WBQ (CAS 607692-85-3), with molecular formula C22H23N5O4S2 and molecular weight 485.11914 g/mol. IUPAC: ethyl 4-[4-oxo-3-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrido[1,2-a]pyrimidin-2-yl]piperazine-1-carboxylate.