Basic information
- CAS
313241-46-2- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cc(Cl)ccc1Oc1ccc(Br)c2ccccc12- InChIKey
LZTYSWMIQGXRFN-UHFFFAOYSA-N- Molecular formula
- C21H19BrClN5O
- Average molar mass
- 472.8 g/mol
- Monoisotopic mass
- 471.04615
Names & identifiers
- Preferred name
- 1-{2-[(4-Bromo-1-naphthyl)oxy]-5-chlorophenyl}-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
- IUPAC
- 1-[2-(4-bromonaphthalen-1-yl)oxy-5-chlorophenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
1-{2-[(4-bromo-1-naphthyl)oxy]-5-chlorophenyl}-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamineDTXSID701112259AKOS001482741313241-46-2AE-641/322540561-[2-[(4-Bromo-1-naphthalenyl)oxy]-5-chlorophenyl]-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine1-{2-[(4-bromonaphthalen-1-yl)oxy]-5-chlorophenyl}-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine1-{2-[(4-bromonaphthalen-1-yl)oxy]-5-chlorophenyl}-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
313241-46-2- PubChem CID
- 3602145
- DTXSID
DTXSID701112259
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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