Basic information
- Standard SMILES
O=c1cc(N2CCN(Cc3c(Cl)ccc(Cl)c3Cl)CC2)nc[nH]1- InChIKey
CBMUPSICGUIKRW-UHFFFAOYSA-N- Molecular formula
- C15H15Cl3N4O
- Average molar mass
- 373.7 g/mol
Names & identifiers
- Preferred name
- 6-[4-(2,3,6-Trichloro-benzyl)-piperazin-1-yl]-3H-pyrimidin-4-one
- IUPAC
- 4-[4-[(2,3,6-trichlorophenyl)methyl]piperazin-1-yl]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL2926662CBMUPSICGUIKRW-UHFFFAOYSA-N6-[4-(2,3,6-Trichloro-benzyl)-piperazin-1-yl]-3H-pyrimidin -4-one6-[4-(2,3,6-Trichloro-benzyl)-piperazin-1-yl]-3H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 136102575
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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