ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
5567-59-9- Standard SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2C1/C=C/c1ccccc1- InChIKey
BLVSWUWCNBIIJC-VCWRQBOVSA-N- Molecular formula
- C25H22N2O3S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.13511374
Names & identifiers
- Preferred name
- ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
5567-59-9ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateethyl 2-benzylidene-7-methyl-3-oxo-5-(2-phenylvinyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAC1NSWVADTXSID30416958CCG-11943AKOS000530182BIM-0024904.P001Ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethen-1-yl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
5567-59-9- PubChem CID
- 5340969
- DTXSID
DTXSID30416958
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 830
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Compound notes
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