Basic information
- Standard SMILES
COc1ccc(Cl)c(Oc2c(COCCOC(=O)c3ccoc3)ncnc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1- InChIKey
QHGXXYMRTIHMSF-UHFFFAOYSA-N- Molecular formula
- C29H30ClN3O8S
- Average molar mass
- 616.1 g/mol
Names & identifiers
- Preferred name
- Furan-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethylester
- IUPAC
- 2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]methoxy]ethyl furan-3-carboxylate
Names & synonyms
SCHEMBL7010937QHGXXYMRTIHMSF-UHFFFAOYSA-Nfuran-3-carboxylic acid 2-[6-(4-tert-butyl-phenylsulfonylamino)-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-ylmethoxy]-ethylester
Database identifiers
- PubChem CID
- 69960040
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 954
Related reactions
2 records
Compound notes
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