Basic information
- CAS
35973-85-4- Standard SMILES
Cc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3- InChIKey
QSGMEISBFXSSOU-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.11398438
Names & identifiers
- Preferred name
- (1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-3-benzyl-2-methyl-
- IUPAC
- 3-benzyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 5,6,7,8-Tetrahydro-2-methyl-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C18H18N2OS
- Molecular weight
- 310.41
Names & synonyms
35973-85-4BRN 0555273(1)BENZOTHIENO(2,3-d)PYRIMIDIN-4-ONE, 5,6,7,8-TETRAHYDRO-3-BENZYL-2-METHYL-DTXSID601895223-Benzyl-2-methyl-4-oxo-5,6-tetramethylenethieno(2,3-d)pyrimidineRefChem:203872DTXCID201120133-benzyl-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one5,6,7,8-Tetrahydro-2-methyl-3-(phenylmethyl)[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneOprea1_075896STL3672483-benzyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Show more names
[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-methyl-3-(phenylmethyl)-
AKOS002745275CCG-354126
Database identifiers
- CAS
35973-85-4
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
Chemistry & industry
Suppliers1 total
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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