N-Isopropyl-N-(4-methoxy-phenyl)-2-(3-methyl-3-naphthalen-2-ylmethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl) acetamide

HCID 86753602
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Basic information

Standard SMILES
COc1ccc(N(C(=O)CN2C(=O)C(C)(Cc3ccc4ccccc4c3)C(=O)N(c3ccccc3)c3ccccc32)C(C)C)cc1
InChIKey
XQKNPKQFULYJLA-UHFFFAOYSA-N
Molecular formula
C39H37N3O4
Average molar mass
611.7 g/mol

Names & identifiers

Preferred name
N-Isopropyl-N-(4-methoxy-phenyl)-2-(3-methyl-3-naphthalen-2-ylmethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl) acetamide
IUPAC
N-(4-methoxyphenyl)-2-[3-methyl-3-(naphthalen-2-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-propan-2-ylacetamide

Names & synonyms

XQKNPKQFULYJLA-UHFFFAOYSA-NN-Isopropyl-N-(4-methoxy-phenyl)-2-(3-methyl-3-naphthalen-2-ylmethyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl) acetamide

Database identifiers

PubChem CID
86753602

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
70.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
46

Related reactions

1 records
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Compound notes

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