Basic information
- CAS
3808-12-6- Standard SMILES
Cc1ccc(N2C(=O)c3ccccc3C2(c2ccccc2)N(CCCl)CCCl)cc1- InChIKey
XBWOANJISDFRFM-UHFFFAOYSA-N- Molecular formula
- C25H24Cl2N2O
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 438.1265688
Names & identifiers
- Preferred name
- 3-[Bis(2-chloroethyl)amino]-2-(4-methylphenyl)-3-phenyl-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 3-[bis(2-chloroethyl)amino]-2-(4-methylphenyl)-3-phenylisoindol-1-one
Names & synonyms
3808-12-6NSC67335DTXSID50328908NSC-673353-[Bis(2-chloroethyl)amino]-2-(4-methylphenyl)-3-phenyl-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
3808-12-6- PubChem CID
- 415156
- DTXSID
DTXSID50328908
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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