2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-tert-butyl-pyrimidine hydrochloride
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Basic information
- Standard SMILES
Cc1nnc(SCCCN2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)n1C.Cl- InChIKey
QADFPOSLPACQFS-UHFFFAOYSA-N- Molecular formula
- C23H40ClN7S
- Average molar mass
- 482.1 g/mol
- Monoisotopic mass
- 481.2754432
Names & identifiers
- Preferred name
- 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-tert-butyl-pyrimidine hydrochloride
- IUPAC
- 2,4-ditert-butyl-6-[4-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine;hydrochloride
Names & synonyms
2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-tert-butyl-pyrimidine hydrochlorideabt-127SCHEMBL392430QADFPOSLPACQFS-UHFFFAOYSA-N2,4-ditert-butyl-6-[4-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine;hydrochloride
Database identifiers
- PubChem CID
- 11670223
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 553
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Related reactions
1 records
Compound notes
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