2-[(2-bromo)acetyl]amino-3-(1H-indol-3-yl)1-[N-(2-methoxybenzyl)acetylamino]propane

HCID 69736949

Basic information

Standard SMILES
COc1ccccc1CCC(=O)NCC(Cc1c[nH]c2ccccc12)NC(=O)CBr
InChIKey
SHCCFCOQNNTDPH-UHFFFAOYSA-N
Molecular formula
C23H26BrN3O3
Average molar mass
472.4 g/mol
Monoisotopic mass
471.11575

Names & identifiers

Preferred name
2-[(2-bromo)acetyl]amino-3-(1H-indol-3-yl)1-[N-(2-methoxybenzyl)acetylamino]propane
IUPAC
N-[2-[(2-bromoacetyl)amino]-3-(1H-indol-3-yl)propyl]-3-(2-methoxyphenyl)propanamide

Names & synonyms

SCHEMBL6306786SHCCFCOQNNTDPH-UHFFFAOYSA-N2-[(2-bromo)acetyl]amino-3-(1H-indol-3-yl)-1-[N-(2-methoxybenzyl)acetylamino]propane2-[(2-bromo)acetyl]amino-3-(1H-indol-3-yl)1-[N-(2-methoxybenzyl)acetylamino]propane

Database identifiers

PubChem CID
69736949

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
83.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
30

Related reactions

8 records

Linked notes

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