Basic information
- CAS
357618-27-0- Standard SMILES
COc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1O- InChIKey
ZJKYMNBOQCAOEE-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.08816355
Names & identifiers
- Preferred name
- 2-(2-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-(2-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Names & synonyms
2-(2-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one357618-27-02-(2-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-oneCBMicro_038550Oprea1_186864CHEMBL4173811DTXSID401123861STK042552STL512022AKOS000412782AKOS037491474CCG-353957
Show more names
BIM-0038637.P001SR-01000465729SR-01000465729-1Z574762442-(2-hydroxy-3-methoxyphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one5,6,7,8-Tetrahydro-2-(2-hydroxy-3-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Database identifiers
- CAS
357618-27-0- PubChem CID
- 957230
- DTXSID
DTXSID401123861- ChEMBL
CHEMBL4173811
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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