benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(methylsulfanylmethyl)cyclohexyl]carbamate

HCID 69287262
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Basic information

Standard SMILES
CSCC1CC(NC(=O)OC(C)(C)C)CCC1NC(=O)OCc1ccccc1
InChIKey
GGJWTFUQEMSEPB-UHFFFAOYSA-N
Molecular formula
C21H32N2O4S
Average molar mass
408.6 g/mol
Monoisotopic mass
408.20827868

Names & identifiers

Preferred name
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(methylsulfanylmethyl)cyclohexyl]carbamate
IUPAC
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(methylsulfanylmethyl)cyclohexyl]carbamate

Names & synonyms

SCHEMBL5033612

Database identifiers

PubChem CID
69287262

Properties

Computed structural properties

XLogP
4
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
28

Related reactions

1 records
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Compound notes

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