Basic information
- CAS
64157-46-6- Standard SMILES
CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CCN(CCCl)CCCl)cc1- InChIKey
JWZXLYGWMYYHRC-UHFFFAOYSA-N- Molecular formula
- C24H26Cl2N4O2
- Average molar mass
- 473.4 g/mol
- Monoisotopic mass
- 472.1432815
Names & identifiers
- Preferred name
- N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-[bis(2-chloroethyl)amino]propanamide
- IUPAC
- N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-3-[bis(2-chloroethyl)amino]propanamide
Names & synonyms
64157-46-6NSC-268484NSC268484CHEMBL549608DTXSID40313287N-[4-(3-Acetamidoisoquinolin-4-yl)phenyl]-N~3~,N~3~-bis(2-chloroethyl)-beta-alaninamide
Database identifiers
- CAS
64157-46-6- PubChem CID
- 320515
- DTXSID
DTXSID40313287- ChEMBL
CHEMBL549608
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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