Chemical ID: 5115385

C=CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)c3ccccc3Br
Chemical ID:
5115385
Name [?]:
2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)-acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)c3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16Br2N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.8188
Area:628.063
Solvation:-2.88276
Coulombic:-35.7637
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:508.231
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.74
LogP (Chemaxon):5.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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