Basic information
- CAS
362506-26-1- Standard SMILES
Cc1ccc(-c2ccc(-c3nc(=O)c4c5c(sc4[nH]3)CCCC5)o2)cc1Cl- InChIKey
PCYHHOISBRLEFA-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O2S
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.0699267
Names & identifiers
- Preferred name
- 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-[5-(3-chloro-4-methylphenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C21H17ClN2O2S
- Molecular weight
- 396.89
Names & synonyms
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-oneOprea1_661083STK006558AKOS0053755772-[5-(3-chloro-4-methylphenyl)furan-2-yl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-oneAM-900/155490062-[5-(3-chloro-4-methylphenyl)-2-furyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2-[5-(3-chloro-4-methylphenyl)-2-furanyl]-5,6,7,8-tetrahydro-
Database identifiers
- CAS
362506-26-1- PubChem CID
- 3912513
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 629
Physicochemical properties
- Boiling point
- 620.9 · 620.9±65.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- -0.18 · -0.18±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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