Basic information
- Standard SMILES
CCOC(=O)CN(CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Cn1cc(C)c(=O)[nH]c1=O- InChIKey
RXKVKNWHYCJCPZ-UHFFFAOYSA-N- Molecular formula
- C20H22F3N5O9S
- Average molar mass
- 565.5 g/mol
Names & identifiers
- Preferred name
- N-[2-(2-Nitro-4-trifluoromethyl-benzenesulfonylamino)-ethyl]-N-[(thymin-1-yl)-acetyl]-glycine ethyl ester
- IUPAC
- ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]acetate
Names & synonyms
N-[2-(2-Nitro-4-trifluoromethyl-benzenesulfonylamino)-ethyl]-N-[(thymin-1-yl)-acetyl]-glycine ethyl esterSCHEMBL3820739
Database identifiers
- PubChem CID
- 22222385
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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