(1R,3R,4S)-{3-benzenesulfonylmethyl-4-[3-oxo-3-(3-trifluoromethylphenyl)-propylamino]cyclohexyl}carbamic acid tert-butyl ester

HCID 69037372
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NCCC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1
InChIKey
DNCSDJAYMKNNMT-FJIJXJHWSA-N
Molecular formula
C28H35F3N2O5S
Average molar mass
568.6 g/mol

Names & identifiers

Preferred name
(1R,3R,4S)-{3-benzenesulfonylmethyl-4-[3-oxo-3-(3-trifluoromethylphenyl)-propylamino]cyclohexyl}carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(1R,3R,4S)-3-(benzenesulfonylmethyl)-4-[[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]amino]cyclohexyl]carbamate

Names & synonyms

(1R,3R,4S)-{3-benzenesulfonylmethyl-4-[3-oxo-3-(3-trifluoromethylphenyl)-propylamino]cyclohexyl}carbamic acid tert-butyl esterSCHEMBL4421596

Database identifiers

PubChem CID
69037372

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
11
Heavy atoms
39

Related reactions

2 records
New reaction record

Linked notes

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