Basic information
- Standard SMILES
CCOC(=O)[C@@H](O)c1c(C)nc2c(C)c(-c3cccc(Cl)c3)nn2c1Cl- InChIKey
HCBFEJKDHCGHFZ-HNNXBMFYSA-N- Molecular formula
- C18H17Cl2N3O3
- Average molar mass
- 394.2 g/mol
Names & identifiers
- Preferred name
- (S)-ethyl 2-(7-chloro-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetate
- IUPAC
- ethyl (2S)-2-[7-chloro-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyacetate
Names & synonyms
SCHEMBL10175062HCBFEJKDHCGHFZ-HNNXBMFYSA-N(S)-ethyl 2-(7-chloro-2-(3-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-hydroxyacetate
Database identifiers
- PubChem CID
- 86670293
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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