1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea)
Basic information
- CAS
30805-04-0- Standard SMILES
O=C(Nc1ccccc1)Nc1nc(NC(=O)Nc2ccccc2)nc(-c2ccccc2)n1- InChIKey
LWYRSUQVFUCUPW-UHFFFAOYSA-N- Molecular formula
- C23H19N7O2
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.16002287
Names & identifiers
- Preferred name
- 1,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea)
- IUPAC
- 1-phenyl-3-[4-phenyl-6-(phenylcarbamoylamino)-1,3,5-triazin-2-yl]urea
Names & synonyms
ST5104295530805-04-0DTXSID90275306AKOS0243886011,1'-(6-Phenyl-s-triazine-2,4-diyl)bis(3-phenylurea)N,N'-(6-Phenyl-1,3,5-triazine-2,4-diyl)bis(N'-phenylurea)(phenylamino)-N-{4-phenyl-6-[(phenylamino)carbonylamino](1,3,5-triazin-2-yl)}c arboxamide
Database identifiers
- CAS
30805-04-0- PubChem CID
- 35496
- DTXSID
DTXSID90275306- Nikkaji
- J1.614.894F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 559
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Compound notes
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