[4-(4-Chlorophenyl)-5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-1,3,4-thiadiazol-2-yl] propanoate
Basic information
- CAS
500264-54-0- Standard SMILES
CCC(=O)OC1=NN(c2ccc(Cl)cc2)C(=CC2=NCCc3cc(OC)c(OC)cc32)S1- InChIKey
ATDGNRPODQACBW-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3O4S
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.1019551
Names & identifiers
- Preferred name
- [4-(4-Chlorophenyl)-5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-1,3,4-thiadiazol-2-yl] propanoate
- IUPAC
- [4-(4-chlorophenyl)-5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-1,3,4-thiadiazol-2-yl] propanoate
- English name
- 4-(4-chlorophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1-isoquinolinyl)methylene]-4,5-dihydro-1,3,4-thiadiazol-2-yl propionate
- Molecular formula
- C23H22ClN3O4S
- Molecular weight
- 471.95648
Names & synonyms
4-(4-chlorophenyl)-5-[(6,7-dimethoxy-3,4-dihydro-1-isoquinolinyl)methylene]-4,5-dihydro-1,3,4-thiadiazol-2-yl propionate[4-(4-chlorophenyl)-5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylidene]-1,3,4-thiadiazol-2-yl] propanoateAP-982/41090508
Database identifiers
- CAS
500264-54-0- PubChem CID
- 4177630
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 781
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Related reactions
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Compound notes
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