Chemical ID: 5121968

CCn1c(nnc1SCC(=O)Nc2ccccc2C)c3ccc(cc3)Cl
Chemical ID:
5121968
Name [?]:
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2C)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19ClN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.3634
Area:606.881
Solvation:-2.80861
Coulombic:-34.7217
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.899
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.8
LogP (Chemaxon):3.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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