Basic information
- CAS
7026-77-9- Standard SMILES
Cc1ccc(CN2C(=O)C(=Cc3c(NC4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1- InChIKey
CXBUXZYPDIDBPE-UHFFFAOYSA-N- Molecular formula
- C28H30N4O2S2
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.18101856
Names & identifiers
- Preferred name
- 9-Methyl-2-[(4-methylcyclohexyl)amino]-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 5-[[9-methyl-2-[(4-methylcyclohexyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
7026-77-9DTXSID704138609-Methyl-2-[(4-methylcyclohexyl)amino]-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- CAS
7026-77-9- PubChem CID
- 5259081
- DTXSID
DTXSID70413860
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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