Chemical ID: 4240494

Cn1c(nnc1SCc2ccc(cc2)Br)Cc3ccccc3
Chemical ID:
4240494
Name [?]:
3-benzyl-5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
SMILES [?]:
Cn1c(nnc1SCc2ccc(cc2)Br)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H16BrN3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.5495
Area:536.829
Solvation:-1.87119
Coulombic:-15.0608
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.299
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.11
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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