5-Benzoylthio-2-methyl-2-(p-nitrobenzyloxycarbonyl)aminopentane

HCID 20140776
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Basic information

Standard SMILES
CC(C)(CCCSC(=O)c1ccccc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIKey
IHAKHVXAOXZADY-UHFFFAOYSA-N
Molecular formula
C21H24N2O5S
Average molar mass
416.5 g/mol
Monoisotopic mass
416.14059304

Names & identifiers

Preferred name
5-Benzoylthio-2-methyl-2-(p-nitrobenzyloxycarbonyl)aminopentane
IUPAC
S-[4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] benzenecarbothioate

Names & synonyms

SCHEMBL10639357IHAKHVXAOXZADY-UHFFFAOYSA-N5-benzoylthio-2-methyl-2-(p-nitrobenzyloxycarbonyl)aminopentane

Database identifiers

PubChem CID
20140776

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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