3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Basic information
- CAS
5669-22-7- Standard SMILES
CCOc1c(Br)cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1OC- InChIKey
BONAAPQOPONMGU-AUEPDCJTSA-N- Molecular formula
- C20H20BrN3O3S
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 461.04088
Names & identifiers
- Preferred name
- 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- IUPAC
- 3-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
5669-22-73-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one3-[(3-bromo-4-ethoxy-5-methoxybenzylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneAC1NSYUCDTXSID204170303-{(E)-[(3-Bromo-4-ethoxy-5-methoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
5669-22-7- PubChem CID
- 5341844
- DTXSID
DTXSID20417030
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…