Chemical ID: 4477139

CCn1c(nnc1SCC(=O)Nc2ccc(cc2Cl)Br)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4477139
Name [?]:
N-(4-bromo-2-chloro-phenyl)-2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2Cl)Br)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrClN5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.36086
Area:666.576
Solvation:-8.30355
Coulombic:-44.9195
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:496.766
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.14
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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