methyl 2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetate
Basic information
- CAS
178688-44-3- Standard SMILES
COC(=O)C(c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1- InChIKey
GNHHCBSBCDGWND-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO4S
- Average molar mass
- 379.9 g/mol
- Monoisotopic mass
- 379.0645069
Overview
structure in first source
Names & identifiers
- Preferred name
- methyl 2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetate
- IUPAC
- methyl 2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetate
Names & synonyms
Methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetatemethyl 2-(2-acetoxy-6,7-dihydrothieno(3,2-c)pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetateRefChem:925647178688-44-3methyl 2-(2-acetyloxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-chlorophenyl)acetateSCHEMBL1061305CHEMBL2042296DTXSID20568152PCC08153Methyl2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetateMethyl [2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl](2-chlorophenyl)acetate
Database identifiers
- CAS
178688-44-3- PubChem CID
- 15097032
- DTXSID
DTXSID20568152- ChEMBL
CHEMBL2042296
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
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Related reactions
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Compound notes
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