Chemical ID: 5298900

C=CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)N)c3ccc(cc3)Cl
Chemical ID:
5298900
Name [?]:
4-[2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)N)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18ClN5O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.4083
Area:655.363
Solvation:-3.97578
Coulombic:-61.073
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.908
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.65
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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