AC1LYNGZ
2-[(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: (Z)-2-(5-((2-((3-isopropoxypropyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|2-[5-((Z)-1-{2-[(3-isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid|{(5Z)-5-[(9-methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid|2-[(5Z)-5-[(9-METHYL-4-OXO-2-{[3-(PROPAN-2-YLOXY)PROPYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID|2-[(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C21H24N4O5S2 |
|---|---|
| Molecular Weight | 476.1188 g/mol |
| LogP | 2.51572 |
| Topological Polar Surface Area | 113.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.1188 |
| Monoisotopic Mass | 476.1188 |
| Heavy Atoms | 32 |
| Complexity | 1158.8196 |
Chemical Identifiers
| CAS Number | 780775-41-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(=O)O)NCCCOC(C)C |
Product Overview
AC1LYNGZ (CAS 780775-41-9), with molecular formula C21H24N4O5S2 and molecular weight 476.1188 g/mol. IUPAC: 2-[(5Z)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
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