1,4-Dibenzyl-6-methyl-6-nitro-1,4-diazepane
Basic information
- CAS
492437-19-1- Standard SMILES
CC1([N+](=O)[O-])CN(Cc2ccccc2)CCN(Cc2ccccc2)C1- InChIKey
ZPRZDSLWKITLOV-UHFFFAOYSA-N- Molecular formula
- C20H25N3O2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.19467705
Names & identifiers
- Preferred name
- 1,4-Dibenzyl-6-methyl-6-nitro-1,4-diazepane
- IUPAC
- 1,4-dibenzyl-6-methyl-6-nitro-1,4-diazepane
Names & synonyms
1,4-Dibenzyl-6-methyl-6-nitro-1,4-diazepane492437-19-1DTXSID00593765RefChem:220400DTXCID30544528SCHEMBL491199
Database identifiers
- CAS
492437-19-1- PubChem CID
- 18436452
- DTXSID
DTXSID00593765
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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