HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

ethyl 2-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

HCID 178697223
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
436812-78-1
Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2C1c1cccc(OC)c1
InChIKey
PILIPORTTPKCQO-UHFFFAOYSA-N
Molecular formula
C30H26N2O7S
Average molar mass
558.6 g/mol
Monoisotopic mass
558.14607235

Names & identifiers

Preferred name
ethyl 2-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC
ethyl 2-[[5-(2-methoxycarbonylphenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
English name
ethyl 2-({5-[2-(methoxycarbonyl)phenyl]-2-furyl}methylene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Molecular formula
C30H26N2O7S
Molecular weight
558.6

Names & synonyms

Oprea1_323741Oprea1_376029ethyl 2-({5-[2-(methoxycarbonyl)phenyl]-2-furyl}methylene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateethyl (2Z)-2-({5-[2-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-5-(3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2,3-dihydro-2-[[5-[2-(methoxycarbonyl)phenyl]-2-furanyl]methylene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-, ethyl ester

Database identifiers

CAS
436812-78-1
PubChem CID
3664307

Properties

Computed structural propertiesFilling in

XLogP
5.1
Topological polar surface area
133 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
40
Formal charge
0
Complexity
1,100

Physicochemical properties

Boiling point
701.4 · 701.4±70.0 °C(Predicted)
Density
1.34 · 1.34±0.1 g/cm3(Predicted)
pka
-4.43 · -4.43±0.70(Predicted)

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes