Basic information
- CAS
1052543-69-7- Standard SMILES
O.O=C(NC(=Nc1ccccc1)Nc1ccccc1)c1ccc(Cl)c(Cl)c1- InChIKey
XELMXVXKFRMRBC-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N3O2
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0697822
Names & identifiers
- Preferred name
- 3,4-Dichloro-N-(N,N'-diphenylcarbamimidoyl)benzamide;hydrate
- IUPAC
- 3,4-dichloro-N-(N,N'-diphenylcarbamimidoyl)benzamide;hydrate
Names & synonyms
3,4-Dichloro-N-(N,N'-diphenylcarbamimidoyl)benzamide;hydrateAKOS0307526911052543-69-7Z85956910
Database identifiers
- CAS
1052543-69-7- PubChem CID
- 135802476
Properties
Computed structural properties
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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