1-(4-Methoxyphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Completing data — refresh the page later to see the latest
Basic information
- CAS
315691-56-6- Standard SMILES
COc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1- InChIKey
FKXWKHGPINVUFT-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2S2
- Average molar mass
- 370.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
- IUPAC
- 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
- English name
- 1-(4-methoxyphenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethan-1-one
- Molecular formula
- C19H18N2O2S2
- Molecular weight
- 370.49
Names & synonyms
315691-56-61-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone1-(4-methoxyphenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone1-(4-methoxyphenyl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-oneCBKinase1_001843CBKinase1_0142431-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanoneCCG-18918STL233780AKOS000589543UPCMLD0ENAT0513-7789:001ST50011740
Show more names
Ethanone, 1-(4-methoxyphenyl)-2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]-1-(4-methoxyphenyl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethan-1-one
AF-399/15336008SR-01000471445SR-01000471445-1BRD-K36130268-001-01-3Z20226653F1043-06291-(4-METHOXYPHENYL)-2-(5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YLSULFANYL)-1-ETHANONE1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-y lthio)ethan-1-one
Database identifiers
- CAS
315691-56-6
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 595.2 · 595.2±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 0.99 · 0.99±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…