3-(4-(Bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-2-propenamide
Basic information
- CAS
77898-37-4- Standard SMILES
N#CC(=Cc1ccc(N(CCCl)CCCl)cc1)C(=O)NC(CO)(CO)CO- InChIKey
IGYUHHCFWFPJOD-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N3O4
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.1065616
Names & identifiers
- Preferred name
- 3-(4-(Bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-2-propenamide
- IUPAC
- 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
Names & synonyms
3-[4-[Bis(2-chloroethyl)amino]phenyl]-2-cyano-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-propenamide77898-37-43-(4-(Bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-2-propenamideRefChem:274317DTXSID8011131173-{4-[Bis(2-chloroethyl)amino]phenyl}-2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
Database identifiers
- CAS
77898-37-4- PubChem CID
- 3060239
- DTXSID
DTXSID801113117
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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