Basic information
- Standard SMILES
COc1ncc2[nH]c(-c3cc(S(=O)(=O)Cl)c(Cl)cc3OC)nc2n1- InChIKey
GKPOCEBFYHDUBF-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N4O4S
- Average molar mass
- 389.2 g/mol
Names & identifiers
- Preferred name
- 2-Methoxy-8-(2-methoxy-4-chloro-5-chlorosulfonyl-phenyl)-purine
- IUPAC
- 2-chloro-4-methoxy-5-(2-methoxy-7H-purin-8-yl)benzenesulfonyl chloride
Names & synonyms
SCHEMBL10688260SCHEMBL10688273GKPOCEBFYHDUBF-UHFFFAOYSA-N2-methoxy-8-(2-methoxy-4-chloro-5-chlorosulfonyl-phenyl)-purine
Database identifiers
- PubChem CID
- 20153285
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
Related reactions
2 records
Compound notes
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