Basic information
- Standard SMILES
C(=C1COCC2=C1N=C1SCCN1C2c1ccccc1)c1ccccc1- InChIKey
YKFXBXJEYVPZOH-UHFFFAOYSA-N- Molecular formula
- C22H20N2OS
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.12963444
Names & identifiers
- Preferred name
- 2,3,8,9-Tetrahydro-5-phenyl-9-(phenylmethylene)-5H,6H-pyrano[4,3-d]thiazolo[3,2-a]pyrimidine
- IUPAC
- 13-benzylidene-8-phenyl-11-oxa-4-thia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2-diene
Names & synonyms
SCHEMBL11607756YKFXBXJEYVPZOH-UHFFFAOYSA-N2,3,8,9-Tetrahydro-5-phenyl-9-(phenylmethylene)-5H,6H-pyrano[4,3-d]thiazolo[3,2-a]pyrimidine
Database identifiers
- PubChem CID
- 21786678
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 626
Related reactions
1 records
Compound notes
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