Basic information
- Standard SMILES
COc1cc(C=C2COCC3=C2N=C2SCCN2C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC- InChIKey
WAGQZXBDWOJELW-UHFFFAOYSA-N- Molecular formula
- C28H32N2O7S
- Average molar mass
- 540.6 g/mol
Names & identifiers
- Preferred name
- 2,3,8,9-Tetrahydro-5-(3,4,5-trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylene]-5H,6H-pyrano[4,3-d]thiazolo[3,2-a]pyrimidine
- IUPAC
- 8-(3,4,5-trimethoxyphenyl)-13-[(3,4,5-trimethoxyphenyl)methylidene]-11-oxa-4-thia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2-diene
Names & synonyms
SCHEMBL11606590WAGQZXBDWOJELW-UHFFFAOYSA-N2,3,8,9-Tetrahydro-5-(3,4,5-trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylene]-5H,6H-pyrano[4,3-d]thiazolo[3,2-a]pyrimidine
Database identifiers
- PubChem CID
- 21786680
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 899
Related reactions
1 records
Compound notes
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