Basic information
- Standard SMILES
CCOC(=O)CN(CP(=O)(O)O)S(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1- InChIKey
MFNIBCONEXAKKE-UHFFFAOYSA-N- Molecular formula
- C21H25Cl2N2O7PS
- Average molar mass
- 551.4 g/mol
Names & identifiers
- Preferred name
- (3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(2-ethoxy-2-oxoethyl)phenylsulfonamido)methylphosphonic acid
- IUPAC
- [[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonyl-(2-ethoxy-2-oxoethyl)amino]methylphosphonic acid
Names & synonyms
SCHEMBL2580334MFNIBCONEXAKKE-UHFFFAOYSA-N(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(2-ethoxy-2-oxoethyl)phenylsulfonamido)methylphosphonic acid
Database identifiers
- PubChem CID
- 67461069
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 868
Related reactions
4 records
Compound notes
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