Chemical ID: 4502389

CCc1ccc(cc1)OC(C)c2nnc(n2C)SCC(=O)c3ccccc3
Chemical ID:
4502389
Name [?]:
2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
SMILES [?]:
CCc1ccc(cc1)OC(C)c2nnc(n2C)SCC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.6795
Area:629.916
Solvation:-4.06843
Coulombic:-30.4084
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.23
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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