1,3-Bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)-1,3-diazinane
Basic information
- CAS
6970-15-6- Standard SMILES
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccc([N+](=O)[O-])c2)cc1- InChIKey
WKWDRVMIHBMMEZ-UHFFFAOYSA-N- Molecular formula
- C26H29N3O4
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.21580641
Names & identifiers
- Preferred name
- 1,3-Bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)-1,3-diazinane
- IUPAC
- 1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)-1,3-diazinane
Names & synonyms
1,3-bis[(4-methoxyphenyl)methyl]-2-(3-nitrophenyl)-1,3-diazinane6970-15-6NSC68470Oprea1_719037SCHEMBL14373290DTXSID90328922MFCD01429145NSC-68470AKOS001682348ST50819121
Database identifiers
- CAS
6970-15-6- PubChem CID
- 415300
- DTXSID
DTXSID90328922
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 565
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Compound notes
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