Chemical ID: 4890657

CC(C)Oc1cccc(c1)c2nnc(n2N)SCc3ccc(c(c3)Cl)Cl
Chemical ID:
4890657
Name [?]:
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-isopropoxyphenyl)-1,2,4-triazol-4-amine
SMILES [?]:
CC(C)Oc1cccc(c1)c2nnc(n2N)SCc3ccc(c(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18Cl2N4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.7939
Area:632.675
Solvation:-3.02299
Coulombic:-33.4763
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.333
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.6
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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