ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate
Basic information
- CAS
72916-31-5- Standard SMILES
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccccc1Cl- InChIKey
ORHWZJFAPBUCKS-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O3
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.0927701
Names & identifiers
- Preferred name
- ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate
- IUPAC
- ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate
Names & synonyms
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate72916-31-5DTXSID70319272RefChem:344496DTXCID30270395NSC343223ChemDiv1_011104Oprea1_044714HMS618I16STK074445AKOS000571918AKOS016043310
Show more names
NSC-343223DS-005385ST50750628SR-01000515125SR-01000515125-14H-PYRAN-3-CARBOXYLICACID, 6-AMINO-4-(2-CHLOROPHENYL)-5-CYANO-2-PHENYL-, ETHYL ESTER
Database identifiers
- CAS
72916-31-5- PubChem CID
- 335079
- DTXSID
DTXSID70319272- Nikkaji
- J3.408.472F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 685
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Compound notes
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