Chemical ID: 4454581

CCn1c(nnc1SCC(=O)Nc2ccccc2F)c3ccc(cc3)Br
Chemical ID:
4454581
Name [?]:
2-[[5-(4-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2F)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16BrFN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6029
Area:591.167
Solvation:-3.17624
Coulombic:-38.7212
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.314
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.91
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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