Basic information
- CAS
457952-06-6- Standard SMILES
Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)n(-c3ccccc3)c(=O)c2c1C- InChIKey
KOUPZHOTADNMHU-UHFFFAOYSA-N- Molecular formula
- C22H26N4O3S2
- Average molar mass
- 458.6 g/mol
Names & identifiers
- Preferred name
- 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
- English name
- 2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C22H26N4O3S2
- Molecular weight
- 458.6
Names & synonyms
2-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-2-oxoethyl)thio)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one457952-06-6SMR0001088642-{2-[4-(2-hydroxyethyl)piperazinyl]-2-oxoethylthio}-5,6-dimethyl-3-phenyl-3-h ydrothiopheno[2,3-d]pyrimidin-4-oneOprea1_671166Oprea1_768077MLS000112957MLS000910887MLS001066528CHEMBL1461215SCHEMBL20228944HMS2500N11
Show more names
Thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl]thio]-5,6-dimethyl-3-phenyl-
SBB083522STK844901AKOS0021610542-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-oneST50032682F1205-00022-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Boiling point
- 697.2 · 697.2±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 14.96 · 14.96±0.10(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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