Basic information
- Standard SMILES
COc1cc(OC)c(Cl)c(-c2cc3[nH]nc(-c4ccc5c(c4)N(C)C(=O)CO5)c3cn2)c1Cl- InChIKey
XCJJIWSISGHGEI-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N4O4
- Average molar mass
- 485.3 g/mol
- Monoisotopic mass
- 484.0705105
Names & identifiers
- Preferred name
- 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL15795965XCJJIWSISGHGEI-UHFFFAOYSA-N6-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- PubChem CID
- 76285329
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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