Basic information
- Standard SMILES
CC(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H](CNC(=O)Oc2ccc([N+](=O)[O-])cc2)C1- InChIKey
BGIFKXIDGYLBAG-RUINGEJQSA-N- Molecular formula
- C20H21Cl2N3O5
- Average molar mass
- 454.3 g/mol
Names & identifiers
- Preferred name
- 4-nitrophenyl {(2S)-4-[1-(3,4-dichlorophenyl)ethyl]morpholin-2-yl}methylcarbamate
- IUPAC
- (4-nitrophenyl) N-[[(2S)-4-[1-(3,4-dichlorophenyl)ethyl]morpholin-2-yl]methyl]carbamate
Names & synonyms
SCHEMBL4496875BGIFKXIDGYLBAG-RUINGEJQSA-N4-nitrophenyl {(2S)-4-[1-(3,4-dichlorophenyl)ethyl]morpholin-2-yl}methylcarbamate
Database identifiers
- PubChem CID
- 69066802
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
3 records
Compound notes
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