Basic information
- CAS
36411-65-1- Standard SMILES
O=C(NCc1cccc(CNC(=O)Nc2ccccc2)c1)Nc1ccccc1- InChIKey
FZTMXJUJPWQZMX-UHFFFAOYSA-N- Molecular formula
- C22H22N4O2
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.17427596
Names & identifiers
- Preferred name
- 1,1'-(Benzene-1,3-diyldimethanediyl)bis(3-phenylurea)
- IUPAC
- 1-phenyl-3-[[3-[(phenylcarbamoylamino)methyl]phenyl]methyl]urea
Names & synonyms
1,1'-(benzene-1,3-diyldimethanediyl)bis(3-phenylurea)36411-65-1NSC818621-phenyl-3-[[3-[(phenylcarbamoylamino)methyl]phenyl]methyl]ureaNCIOpen2_009047SCHEMBL2704691DTXSID80292345NSC-81862AKOS024381557ST51029262N,N'-[1,3-Phenylenebis(methylene)]bis(N'-phenylurea)(phenylamino)-N-[(3-{[(phenylamino)carbonylamino]methyl}phenyl)methyl]carboxam ide
Database identifiers
- CAS
36411-65-1- PubChem CID
- 255877
- DTXSID
DTXSID80292345- Nikkaji
- J1.779.675E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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