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4-[2-[[[2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyridine-2-carboxamide

HCID 20627872
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)[Si](C)(C)OC(CNCC1CCc2cc(-c3ccnc(C(N)=O)c3)ccc2O1)COc1ccccc1
InChIKey
HIWRABFWLGFOOU-UHFFFAOYSA-N
Molecular formula
C31H41N3O4Si
Average molar mass
547.8 g/mol

Names & identifiers

Preferred name
4-[2-[[[2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyridine-2-carboxamide
IUPAC
4-[2-[[[2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]pyridine-2-carboxamide

Database identifiers

PubChem CID
20627872

Properties

Computed structural properties

Topological polar surface area
95.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
39
Formal charge
0
Complexity
769

Related reactions

2 records
New reaction record
HRID 1119911 reaction equation
HRID 1119911As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2328600 reaction equation
HRID 2328600As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes