Basic information
- CAS
604763-05-5- Standard SMILES
Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2ncccn2)CC1- InChIKey
LPTANVXQGXQKCN-UHFFFAOYSA-N- Molecular formula
- C17H19ClN4OS
- Average molar mass
- 362.9 g/mol
Names & identifiers
- Preferred name
- Piperazine, 1-(5-chloro-2-methylphenyl)-4-[(2-pyrimidinylthio)acetyl]-
- IUPAC
- 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
- English name
- Piperazine, 1-(5-chloro-2-methylphenyl)-4-[(2-pyrimidinylthio)acetyl]- (9CI)
- Molecular formula
- C17H19ClN4OS
- Molecular weight
- 362.88
Names & synonyms
604763-05-5DB-277642SR-01000341543SR-01000341543-1PIPERAZINE, 1-(5-CHLORO-2-METHYLPHENYL)-4-[(2-PYRIMIDINYLTHIO)ACETYL]-Piperazine, 1-(5-chloro-2-methylphenyl)-4-[(2-pyrimidinylthio)acetyl]- (9CI)Ethanone, 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-(2-pyrimidinylthio)-
Database identifiers
- CAS
604763-05-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 571.2 · 571.2±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 1.8 · 1.80±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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