Chemical ID: 5128707

CCn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)c4ccncc4
Chemical ID:
5128707
Name [?]:
N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCC3)C#N)c4ccncc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N6OS2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2619
Area:646.371
Solvation:-3.89733
Coulombic:-39.5699
Bond Count [?]
All:32
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.545
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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