Basic information
- Standard SMILES
CC(C)(C)Nc1c(NCc2cccc(Cl)c2Cl)c(=O)c1=O- InChIKey
VRFFRRDQFXGZOQ-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2O2
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 326.0588831
Names & identifiers
- Preferred name
- 3-(t-Butylamino)-4-(2,3-dichloro-benzylamino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-(tert-butylamino)-4-[(2,3-dichlorophenyl)methylamino]cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL7895088VRFFRRDQFXGZOQ-UHFFFAOYSA-N3-(t-Butylamino)-4-(2,3-dichloro-benzylamino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 17819340
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
Loading…