N-[3-(4-chlorophenyl)-1-phenyl-2,4-dihydro-1,3,5-triazin-6-yl]nitramide
Basic information
- CAS
5473-22-3- Standard SMILES
O=[N+]([O-])NC1=NCN(c2ccc(Cl)cc2)CN1c1ccccc1- InChIKey
FWLCTKFAEVXVAJ-UHFFFAOYSA-N- Molecular formula
- C15H14ClN5O2
- Average molar mass
- 331.76 g/mol
- Monoisotopic mass
- 331.0836024
Names & identifiers
- Preferred name
- N-[3-(4-chlorophenyl)-1-phenyl-2,4-dihydro-1,3,5-triazin-6-yl]nitramide
- IUPAC
- N-[3-(4-chlorophenyl)-1-phenyl-2,4-dihydro-1,3,5-triazin-6-yl]nitramide
Names & synonyms
N-[3-(4-chlorophenyl)-1-phenyl-2,4-dihydro-1,3,5-triazin-6-yl]nitramideDTXSID50357758N-[5-(4-Chlorophenyl)-1-phenyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]nitramide
Database identifiers
- CAS
5473-22-3- PubChem CID
- 867372
- DTXSID
DTXSID50357758
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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