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2-(2,4-Dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-phenyl acetamide

HCID 10812401
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)N(C(=O)CN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21)c1ccccc1
InChIKey
IINJFCAEWJKFTF-UHFFFAOYSA-N
Molecular formula
C26H25N3O3
Average molar mass
427.5 g/mol
Monoisotopic mass
427.18959167

Names & identifiers

Preferred name
2-(2,4-Dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-phenyl acetamide
IUPAC
2-(2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-N-phenyl-N-propan-2-ylacetamide

Names & synonyms

SCHEMBL8807834IINJFCAEWJKFTF-UHFFFAOYSA-N2-(2,4-Dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-phenyl acetamide

Database identifiers

PubChem CID
10812401

Properties

Computed structural properties

XLogP
4
Topological polar surface area
60.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
682

Related reactions

3 records
New reaction record
HRID 343090 reaction equation
HRID 343090As productuspto-grants-1999_01
HRID 343109 reaction equation
HRID 343109As reactantuspto-grants-1999_01
HRID 343110 reaction equation
HRID 343110As reactantuspto-grants-1999_01

Compound notes

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