Chemical ID: 3846960

CCOC(=O)CSc1nnc(n1c2cccc(c2)Cl)C3CCCCC3
Chemical ID:
3846960
Name [?]:
ethyl 2-[[4-(3-chlorophenyl)-5-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
CCOC(=O)CSc1nnc(n1c2cccc(c2)Cl)C3CCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H22ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.7361
Area:604.737
Solvation:-2.38235
Coulombic:-31.906
Bond Count [?]
All:27
Single:21
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.905
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.3
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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