Chemical ID: 4500904

Cn1c(nnc1SCC(=O)Nc2ccc(cc2)F)CCNC(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
4500904
Name [?]:
3,4-dichloro-N-[2-[5-[(4-fluorophenyl)carbamoylmethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2ccc(cc2)F)CCNC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18Cl2FN5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.8111
Area:721.599
Solvation:-5.22882
Coulombic:-56.8955
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:482.359
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.27
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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