(2S,4EZ)-N-(2,1,3-benzothiadiazol-4-yl)-4-(cyanomethylene)-1-(diphenylacetyl)-2-pyrrolidinecarboxamide

HCID 69249372
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Basic information

Standard SMILES
N#CC=C1C[C@@H](C(=O)Nc2cccc3nsnc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIKey
SSOPUEMIOHRNOB-QHCPKHFHSA-N
Molecular formula
C27H21N5O2S
Average molar mass
479.6 g/mol

Names & identifiers

Preferred name
(2S,4EZ)-N-(2,1,3-benzothiadiazol-4-yl)-4-(cyanomethylene)-1-(diphenylacetyl)-2-pyrrolidinecarboxamide
IUPAC
(2S)-N-(2,1,3-benzothiadiazol-4-yl)-4-(cyanomethylidene)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide

Names & synonyms

SCHEMBL4940317SSOPUEMIOHRNOB-QHCPKHFHSA-N(2S,4EZ)-N-(2,1,3-benzothiadiazol-4-yl)-4-(cyanomethylene)-1-(diphenylacetyl)-2-pyrrolidinecarboxamide

Database identifiers

PubChem CID
69249372

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

Related reactions

1 records
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Compound notes

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