Chemical ID: 5303925

CCc1cccc(c1NC(=O)CSc2nnc(n2CC=C)COc3ccccc3)C
Chemical ID:
5303925
Name [?]:
2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)CSc2nnc(n2CC=C)COc3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4098
Area:673.881
Solvation:-4.43725
Coulombic:-42.7599
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.544
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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