Chemical ID: 4445908

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)c3ccc(cc3)OC
Chemical ID:
4445908
Name [?]:
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.36342
Area:656.104
Solvation:-9.03917
Coulombic:-51.9553
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.478
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.86
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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