Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
N-cyclopropyl-4-methyl-3-[3-[[1-[2-(oxiran-2-ylmethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide (HCID 87109409)|Huagongshe
Home
/
Compound
N-cyclopropyl-4-methyl-3-[3-[[1-[2-(oxiran-2-ylmethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide
HCID
87109409
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC2(c3ccccc3OCC3CO3)CC2)c1=O
InChIKey
MSPBUZMAJZDDHN-UHFFFAOYSA-N
Molecular formula
C27H28N4O4
Average molar mass
472.5 g/mol
Monoisotopic mass
472.21105539
Names & identifiers
Preferred name
N-cyclopropyl-4-methyl-3-[3-[[1-[2-(oxiran-2-ylmethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide
IUPAC
N-cyclopropyl-4-methyl-3-[3-[[1-[2-(oxiran-2-ylmethoxy)phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide
Names & synonyms
SCHEMBL450912
Database identifiers
PubChem CID
87109409
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
95.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Formal charge
0
Complexity
896
Show all 8
Show all 8 / 8
Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
183855
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1233217
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1235720
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1559614
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1562178
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Show 1 more
Compound notes
Loading…