Chemical ID: 5617318

CCSC1=C(C2(CCCCC2)C(=C(N1)C)C(=O)Nc3ccccc3)C#N
Chemical ID:
5617318
Name [?]:
1-cyano-2-ethylsulfanyl-4-methyl-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
SMILES [?]:
CCSC1=C(C2(CCCCC2)C(=C(N1)C)C(=O)Nc3ccccc3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6109
Area:554.369
Solvation:-2.24836
Coulombic:-37.7822
Bond Count [?]
All:28
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:367.509
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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