Basic information
- Standard SMILES
CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C- InChIKey
FIYAZAORNPNXHJ-UHFFFAOYSA-N- Molecular formula
- C24H30N4O7
- Average molar mass
- 486.5 g/mol
- Monoisotopic mass
- 486.21144931
Names & identifiers
- Preferred name
- {2-(4-Hydroxy-phenyl)-1-[1-methylcarbamoyl-2-(4-nitro-phenyl)-ethylcarbamoyl]-ethyl} carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-(4-hydroxyphenyl)-1-[[1-(methylamino)-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL3477645FIYAZAORNPNXHJ-UHFFFAOYSA-N{2-(4-Hydroxy-phenyl)-1-[1-methylcarbamoyl-2-(4-nitro-phenyl)-ethylcarbamoyl]-ethyl} carbamic acid tert-butyl ester{2-(4-Hydroxy-phenyl)-1-[1-methylcarbamoyl-2-(4-nitro-phenyl)-ethylcarbamoyl]-ethyl}carbamic acid tert-butyl ester{2-(4-Hydroxy-phenyl)-1-[1-methylcarbamoyl-2-(4-nitro-phenyl)-ethylcarbamoyl]ethyl} carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68657947
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 733
Related reactions
3 records
Compound notes
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