Basic information
- Standard SMILES
COc1ccc(CN(OC=C=O)C(=O)OCc2ccccc2)cc1N1CCN(C)CC1- InChIKey
NCUSFAKRHBJLHO-UHFFFAOYSA-N- Molecular formula
- C23H27N3O5
- Average molar mass
- 425.5 g/mol
Names & identifiers
- Preferred name
- N-Benzyloxycarbonyl-3-(4-methylpiperazin-1-yl)-carbonylmethoxy-4-methoxybenzylamine
- IUPAC
- benzyl N-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]methyl]-N-(2-oxoethenoxy)carbamate
Names & synonyms
SCHEMBL7367424NCUSFAKRHBJLHO-UHFFFAOYSA-NN-Benzyloxycarbonyl-3-(4-methylpiperazin-1-yl)-carbonylmethoxy-4-methoxybenzylamine
Database identifiers
- PubChem CID
- 54104530
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 598
Related reactions
2 records
Compound notes
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