Chemical ID: 5301806

Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3ccc(c(c3)Cl)OC
Chemical ID:
5301806
Name [?]:
2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxy-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3ccc(c(c3)Cl)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23ClN4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.7732
Area:708.852
Solvation:-5.94807
Coulombic:-48.8146
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:458.962
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.8
LogP (Chemaxon):4.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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