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
- Formal charge
- 0
- Complexity
- 562
Related reactions
8 records
Linked notes
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