(S)-tert-butyl 1-((4-(5-(2-methylbenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)thiophen-2-yl)methylamino)-1-oxopropan-2-ylcarbamate

HCID 69094615
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Basic information

Standard SMILES
Cc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1csc(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1
InChIKey
KHKMTFWOCAVBNY-INIZCTEOSA-N
Molecular formula
C26H30F3N5O4S
Average molar mass
565.6 g/mol

Names & identifiers

Preferred name
(S)-tert-butyl 1-((4-(5-(2-methylbenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)thiophen-2-yl)methylamino)-1-oxopropan-2-ylcarbamate
IUPAC
tert-butyl N-[(2S)-1-[[4-[5-[(2-methylphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]thiophen-2-yl]methylamino]-1-oxopropan-2-yl]carbamate

Names & synonyms

(S)-tert-butyl 1-((4-(5-(2-methylbenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)thiophen-2-yl)methylamino)-1-oxopropan-2-ylcarbamateSCHEMBL4563217

Database identifiers

PubChem CID
69094615

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
39

Related reactions

1 records
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Compound notes

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