(5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate
Basic information
- CAS
733019-14-2- Standard SMILES
COc1ccc(C(C)=O)cc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1- InChIKey
HKKLVHYMCHOGOZ-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO6S
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.0856363
Names & identifiers
- Preferred name
- (5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoate
- IUPAC
- (5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
Names & synonyms
DTXSID601141744(5-Acetyl-2-methoxyphenyl)methyl 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoateAKOS033610385733019-14-2Z18346263(5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-(pyrrolidine-1-sulfonyl)benzoate
Database identifiers
- CAS
733019-14-2- PubChem CID
- 2432983
- DTXSID
DTXSID601141744
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 717
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Compound notes
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