3-(4-Methoxyphenyl)-2,3-dimorpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one

HCID 411409

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Basic information

CAS: 7248-95-5
Standard SMILES: COc1ccc(C(C(C(=O)c2ccc(C(C)C)cc2)N2CCOCC2)N2CCOCC2)cc1
InChIKey: ALRDOVIOJICJND-UHFFFAOYSA-N
Molecular formula: C27H36N2O4
Average molar mass: 452.6 g/mol
Monoisotopic mass: 452.26750763

Names & identifiers

Preferred name: 3-(4-Methoxyphenyl)-2,3-dimorpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one
IUPAC: 3-(4-methoxyphenyl)-2,3-dimorpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one

Names & synonyms

3-(4-methoxyphenyl)-2,3-dimorpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-one7248-95-5NSC34577DTXSID50328529NSC-34577DS-0138473-(4-Methoxyphenyl)-2,3-bis(morpholin-4-yl)-1-[4-(propan-2-yl)phenyl]propan-1-one

Database identifiers

CAS: 7248-95-5
PubChem CID: 411409
DTXSID: DTXSID50328529

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 587

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