Basic information
- Standard SMILES
C(=C1CSCC2=C1N=C1SCCN1C2c1ccccc1)c1ccccc1- InChIKey
HSMUCEDWTRDSMB-UHFFFAOYSA-N- Molecular formula
- C22H20N2S2
- Average molar mass
- 376.5 g/mol
Names & identifiers
- Preferred name
- 2,3,8,9-Tetrahydro-5-phenyl-9-(phenylmethylene)-5H,6H-thiazolo[3,2-a]thiopyrano[4,3-d]pyrimidine
- IUPAC
- 13-benzylidene-8-phenyl-4,11-dithia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2-diene
Names & synonyms
SCHEMBL11610891HSMUCEDWTRDSMB-UHFFFAOYSA-N2,3,8,9-Tetrahydro-5-phenyl-9-(phenylmethylene)-5H,6H-thiazolo[3,2-a]thiopyrano[4,3-d]pyrimidine
Database identifiers
- PubChem CID
- 21786672
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
2 records
Compound notes
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