Basic information
- Standard SMILES
CC(NC(=O)C(C)(Cc1cn(C(=O)OCOC(=O)c2ccc(CN3CCNCC3)cc2)c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1.Cl.Cl- InChIKey
KNDKLUCLKWGXCV-UHFFFAOYSA-N- Molecular formula
- C44H47Cl2N5O8
- Average molar mass
- 844.8 g/mol
Names & identifiers
- Preferred name
- 3-[2-(Benzofuran-2-ylmethoxycarbonylamino)-2-(1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-piperazin-1-ylmethyl-benzoyloxymethyl ester dihydrochloride salt
- IUPAC
- [4-(piperazin-1-ylmethyl)benzoyl]oxymethyl 3-[2-(1-benzofuran-2-ylmethoxycarbonylamino)-2-methyl-3-oxo-3-(1-phenylethylamino)propyl]indole-1-carboxylate;dihydrochloride
Names & synonyms
SCHEMBL7844054KNDKLUCLKWGXCV-UHFFFAOYSA-N3-[2-(Benzofuran-2-ylmethoxycarbonylamino)-2-(1-phenyl-ethylcarbamoyl)-propyl]-indole-1-carboxylic acid 4-piperazin-1-ylmethyl-benzoyloxymethyl ester dihydrochloride salt
Database identifiers
- PubChem CID
- 70205129
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
1 records
Compound notes
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