Basic information
- CAS
64157-45-5- Standard SMILES
CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CN(CCCl)CCCl)cc1- InChIKey
AXKRPKPVJLEHMP-UHFFFAOYSA-N- Molecular formula
- C23H24Cl2N4O2
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 458.1276314
Names & identifiers
- Preferred name
- N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
- IUPAC
- N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
Names & synonyms
64157-45-5NSC267222N-[4-(3-acetamidoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamideCHEMBL3273440DTXSID00313187NSC-267222DS-006324N-[4-(3-Acetamidoisoquinolin-4-yl)phenyl]-N~2~,N~2~-bis(2-chloroethyl)glycinamideACETAMIDE,N-[4-[3-(ACETYLAMINO)-4-ISOQUINOLINYL]PHENYL]-2-[BIS(2-CHLOROETHYL)AMINO]-
Database identifiers
- CAS
64157-45-5- PubChem CID
- 320283
- DTXSID
DTXSID00313187- ChEMBL
CHEMBL3273440
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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