Chemical ID: 3638526

c1cc(ccc1c2cnc([nH]2)SCC(=O)Nc3c(c4c(s3)CCCC4)C#N)Cl
Chemical ID:
3638526
Name [?]:
2-[[4-(4-chlorophenyl)-3H-imidazol-2-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-acetamide
SMILES [?]:
c1cc(ccc1c2cnc([nH]2)SCC(=O)Nc3c(c4c(s3)CCCC4)C#N)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17ClN4OS2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0679
Area:660.831
Solvation:-3.45286
Coulombic:-41.3495
Bond Count [?]
All:31
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:428.96
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.63
LogP (Chemaxon):4.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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