Chemical ID: 6609661

COc1ccc(cc1OC)c2nnc(n2C3CCCCC3)SCC#N
Chemical ID:
6609661
Name [?]:
2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
SMILES [?]:
COc1ccc(cc1OC)c2nnc(n2C3CCCCC3)SCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H22N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.93034
Area:570.997
Solvation:-5.34459
Coulombic:-29.5098
Bond Count [?]
All:27
Single:21
Double:5
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.459
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.68
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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