Chemical ID: 6183101

CCCCSc1nnc(n1c2ccc(c(c2)Cl)Cl)CNC(=O)c3ccc(cc3Cl)Cl
Chemical ID:
6183101
Name [?]:
N-[[5-butylsulfanyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2,4-dichloro-benzamide
SMILES [?]:
CCCCSc1nnc(n1c2ccc(c(c2)Cl)Cl)CNC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18Cl4N4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:15.7367
Area:738.999
Solvation:-2.7383
Coulombic:-36.5703
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:504.26
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:8.57
LogP (Chemaxon):5.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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