Chemical ID: 5379632

CCOCCn1c(nnc1SCCOc2ccc(cc2)Br)c3ccc(cc3)Cl
Chemical ID:
5379632
Name [?]:
3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(4-chlorophenyl)-4-(2-ethoxyethyl)-1,2,4-triazole
SMILES [?]:
CCOCCn1c(nnc1SCCOc2ccc(cc2)Br)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrClN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.3933
Area:685.208
Solvation:-3.73693
Coulombic:-31.2882
Bond Count [?]
All:30
Single:22
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:482.822
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.37
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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