Chemical ID: 5301362

Cc1cc(c(c(c1)Cl)NC(=O)CSc2nnc(n2CC=C)c3ccc(cc3)OC)C
Chemical ID:
5301362
Name [?]:
2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethyl-phenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)Cl)NC(=O)CSc2nnc(n2CC=C)c3ccc(cc3)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23ClN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.3839
Area:673.255
Solvation:-4.44747
Coulombic:-42.1625
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.962
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.35
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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