N-{(1S,2S,5R)-3-[5-(3-Chloro-phenyl)-2-methyl-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-3,5-dimethoxy-benzamide

HCID 25182103
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Basic information

Standard SMILES
COc1cc(OC)cc(C(=O)NC[C@@H]2[C@H]3C[C@H]3CN2C(=O)c2nc(C)sc2-c2cccc(Cl)c2)c1
InChIKey
QTMIVEODGZAEIV-BULFRSBZSA-N
Molecular formula
C26H26ClN3O4S
Average molar mass
512 g/mol
Monoisotopic mass
511.1332552

Names & identifiers

Preferred name
N-{(1S,2S,5R)-3-[5-(3-Chloro-phenyl)-2-methyl-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-3,5-dimethoxy-benzamide
IUPAC
N-[[(1S,2S,5R)-3-[5-(3-chlorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3,5-dimethoxybenzamide

Names & synonyms

SCHEMBL1339745QTMIVEODGZAEIV-BULFRSBZSA-NN-{(1S,2S,5R)-3-[5-(3-Chloro-phenyl)-2-methyl-thiazole-4-carbonyl]-3-aza-bicyclo[3.1.0]hex-2-ylmethyl}-3,5-dimethoxy-benzamide

Database identifiers

PubChem CID
25182103

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

Related reactions

1 records
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Compound notes

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