Chemical ID: 4482468

C=CCn1c(nnc1SCC(=O)NC2CCCC2)c3ccc(cc3)Br
Chemical ID:
4482468
Name [?]:
2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)NC2CCCC2)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21BrN4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.4103
Area:595.503
Solvation:-2.47726
Coulombic:-36.1531
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:421.356
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.64
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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