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3-[4-({3-[1-(N,N-dimethylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}methyl)-pyridin-2-yl]-1,1-dimethylurea

HCID 57625976
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccnc(NC(=O)N(C)C)c4)C(C)(C)C3=O)cc21
InChIKey
PJSJKZOMBWWPFA-UHFFFAOYSA-N
Molecular formula
C28H37N7O4
Average molar mass
535.6 g/mol

Names & identifiers

Preferred name
3-[4-({3-[1-(N,N-dimethylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}methyl)-pyridin-2-yl]-1,1-dimethylurea
IUPAC
3-[4-[[3-[1-[2-(dimethylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-1,1-dimethylurea

Names & synonyms

SCHEMBL1873595PJSJKZOMBWWPFA-UHFFFAOYSA-N3-[4-({3-[1-(N,N-dimethylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}methyl)-pyridin-2-yl]-1,1-dimethylurea

Database identifiers

PubChem CID
57625976

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
39
Formal charge
0
Complexity
981

Related reactions

2 records
New reaction record
HRID 546609 reaction equation
HRID 546609As productuspto-grants-2011_05
HRID 1144585 reaction equation
HRID 1144585As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes