Chemical ID: 3854183

CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C#N)COc3ccccc3
Chemical ID:
3854183
Name [?]:
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(c(c(s2)C)C)C#N)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.142
Area:675.261
Solvation:-4.73955
Coulombic:-43.291
Bond Count [?]
All:31
Single:22
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.545
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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