3-(Tritylamino)-2-azepanone

HCID 14729218

Notes Reactions

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Basic information

Standard SMILES: O=C1NCCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: MHNCEKFSUYYGRA-UHFFFAOYSA-N
Molecular formula: C25H26N2O
Average molar mass: 370.5 g/mol

Names & identifiers

Preferred name: 3-(Tritylamino)-2-azepanone
IUPAC: 3-(tritylamino)azepan-2-one

Names & synonyms

3-(tritylamino)-2-azepanone3-(tritylamino)azepan-2-oneSCHEMBL5401841MHNCEKFSUYYGRA-UHFFFAOYSA-NDB-394080alpha-triphenylmethylamino-epsilon-caprolactam179534-94-2

Database identifiers

PubChem CID: 14729218

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 441

Related reactions

7 records

New reaction record

HRID 90865As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 814945As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1225349As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1269748As productuspto-grants-2007_04

HRID 1269749As reactantuspto-grants-2007_04

HRID 1549598As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1584086As productuspto-grants-1999_08

Compound notes

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