Chemical ID: 4735814

CCCCCc1ccc(cc1)c2[nH]c(nn2)SCC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
Chemical ID:
4735814
Name [?]:
1-(4-chloro-3-nitro-phenyl)-2-[[5-(4-pentylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
CCCCCc1ccc(cc1)c2[nH]c(nn2)SCC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.72811
Area:705.5
Solvation:-8.90938
Coulombic:-36.8595
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:444.935
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.81
LogP (Chemaxon):5.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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