AC1NWPJ3
(5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: HMS615E05|BAS 03353383|3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one|(Z)-5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(furan-2-ylmethyl)-2-thioxothiazolidin-4-one|(5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one|(5Z)-3-[(FURAN-2-YL)METHYL]-5-[(2-{[3-(1H-IMIDAZOL-1-YL)PROPYL]AMINO}-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE|3-{[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C23H20N6O3S2 |
|---|---|
| Molecular Weight | 492.10382 g/mol |
| LogP | 3.3876 |
| Topological Polar Surface Area | 97.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.10382 |
| Monoisotopic Mass | 492.10382 |
| Heavy Atoms | 34 |
| Complexity | 1426.9486 |
Chemical Identifiers
| CAS Number | 432012-03-8 |
|---|---|
| SMILES | C1=CC2=NC(=C(C(=O)N2C=C1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4)NCCCN5C=CN=C5 |
Product Overview
AC1NWPJ3 (CAS 432012-03-8), with molecular formula C23H20N6O3S2 and molecular weight 492.10382 g/mol. IUPAC: (5Z)-3-(furan-2-ylmethyl)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.