Chemical ID: 5723142

C=CCn1c(nnc1SCC(=O)NCc2ccc3c(c2)OCO3)COc4ccc(cc4)F
Chemical ID:
5723142
Name [?]:
2-[[4-allyl-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(benzo[1,3]dioxol-5-ylmethyl)acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)NCc2ccc3c(c2)OCO3)COc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21FN4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.3785
Area:693.971
Solvation:-6.97079
Coulombic:-61.3524
Bond Count [?]
All:35
Single:25
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:456.491
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.89
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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