Basic information
- Standard SMILES
CC1(C)c2ccsc2CCN1C(=O)c1cc2ncc(Cl)cn2n1- InChIKey
PNGZGDADKNJJMJ-UHFFFAOYSA-N- Molecular formula
- C16H15ClN4OS
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.06551
Names & identifiers
- Preferred name
- (6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-methanone
- IUPAC
- (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4,4-dimethyl-6,7-dihydrothieno[3,2-c]pyridin-5-yl)methanone
Names & synonyms
SCHEMBL1869308PNGZGDADKNJJMJ-UHFFFAOYSA-N(6-Chloro-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-methanone
Database identifiers
- PubChem CID
- 24898543
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Related reactions
1 records
Compound notes
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