Chemical ID: 4490955

CCn1c(nnc1SCC(=O)Nc2ccccc2Br)Cc3ccccc3
Chemical ID:
4490955
Name [?]:
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2Br)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19BrN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.2818
Area:608.127
Solvation:-2.92142
Coulombic:-34.028
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:431.351
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.56
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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