Chemical ID: 5301979

Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3ccccc3C(C)(C)C
Chemical ID:
5301979
Name [?]:
2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-tert-butylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCc2nnc(n2CC=C)SCC(=O)Nc3ccccc3C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.4805
Area:709.791
Solvation:-4.26433
Coulombic:-43.5928
Bond Count [?]
All:34
Single:24
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.597
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.87
LogP (Chemaxon):4.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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