Basic information
- CAS
683811-45-2- Standard SMILES
Clc1ccc(N2CCCN(CN3CCCN(c4ccc(Cl)cc4)C3)C2)cc1- InChIKey
FPDGHCDLPVFLCT-UHFFFAOYSA-N- Molecular formula
- C21H26Cl2N4
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 404.1534522
Names & identifiers
- Preferred name
- Pyrimidine, 1,1'-methylenebis[3-(4-chlorophenyl)hexahydro-
- IUPAC
- 1-(4-chlorophenyl)-3-[[3-(4-chlorophenyl)-1,3-diazinan-1-yl]methyl]-1,3-diazinane
Names & synonyms
Pyrimidine, 1,1'-methylenebis[3-(4-chlorophenyl)hexahydro-683811-45-2NSC718779DTXSID90328043NSC-7187791,1'-Methylenebis[3-(4-chlorophenyl)-1,3-diazinane]
Database identifiers
- CAS
683811-45-2- PubChem CID
- 403670
- DTXSID
DTXSID90328043- Nikkaji
- J2.021.180F
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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