Basic information
- Standard SMILES
CC(CC#N)C(C#N)(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCOCC1- InChIKey
UGMXSTOOGPIQMW-UHFFFAOYSA-N- Molecular formula
- C20H25N5O4
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Morpholino-3-nitrophenyl)-4-(cyano)-4-(morpholino)-3-methylbutyronitrile
- IUPAC
- 3-methyl-2-morpholin-4-yl-2-(4-morpholin-4-yl-3-nitrophenyl)pentanedinitrile
Names & synonyms
SCHEMBL10737848UGMXSTOOGPIQMW-UHFFFAOYSA-N4-(4-morpholino-3-nitrophenyl)-4-(cyano)-4-(morpholino)-3-methylbutyronitrile
Database identifiers
- PubChem CID
- 20164991
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 667
Related reactions
3 records
Compound notes
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