3-Benzenesulphonyl-5-methyl-2-methylsulphanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine
Basic information
- Standard SMILES
CSc1nn2c(N3CCNCC3)cc(C)nc2c1S(=O)(=O)c1ccccc1- InChIKey
ZHGXZFLDLCMRHP-UHFFFAOYSA-N- Molecular formula
- C18H21N5O2S2
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.11366728
Names & identifiers
- Preferred name
- 3-Benzenesulphonyl-5-methyl-2-methylsulphanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
Names & synonyms
SCHEMBL7134650ZHGXZFLDLCMRHP-UHFFFAOYSA-N3-benzenesulphonyl-5-methyl-2-methylsulphanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 9801313
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
Related reactions
3 records
Compound notes
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