Basic information
- CAS
332062-83-6- Standard SMILES
COc1ccc(C2Oc3ccc(Cl)cc3C3CC(c4cccs4)=NN32)cc1OC- InChIKey
ZLALZZBXLIGHRE-UHFFFAOYSA-N- Molecular formula
- C22H19ClN2O3S
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.0804913
Names & identifiers
- Preferred name
- 9-Chloro-5-(3,4-dimethoxyphenyl)-2-(2-thienyl)-1,10B-dihydropyrazolo[1,5-C][1,3]benzoxazine
- IUPAC
- 9-chloro-5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Names & synonyms
Oprea1_564618Oprea1_566046AKOS000618748AKOS0304842749-CHLORO-5-(3,4-DIMETHOXYPHENYL)-2-(2-THIENYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZINE
Database identifiers
- CAS
332062-83-6- PubChem CID
- 3121981
- EC Number
- 160-098-7
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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