Basic information
- CAS
18593-68-5- Standard SMILES
O=c1[nH]c(-c2ccccc2)nc2scc(-c3ccccc3)c12- InChIKey
KYFZKXVBGQKMHK-UHFFFAOYSA-N- Molecular formula
- C18H12N2OS
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.06703418
Names & identifiers
- Preferred name
- Thieno(2,3-d)pyrimidin-4(1H)-one, 2,5-diphenyl-
- IUPAC
- 2,5-diphenyl-3H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
18593-68-5Thieno(2,3-d)pyrimidin-4(1H)-one, 2,5-diphenyl-2,5-Diphenylthieno(2,3-d)pyrimidin-4(1H)-oneDTXSID10171816RefChem:384950DTXCID10943072,5-Diphenylthieno[2,3-d]pyrimidin-4(3H)-one2,5-diphenyl-3H,4H-thieno[2,3-d]pyrimidin-4-oneAKOS022215793SR-02000001836SR-02000001836-1Z55164719
Database identifiers
- CAS
18593-68-5- PubChem CID
- 205779
- DTXSID
DTXSID10171816
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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