Chemical ID: 3845449

CCOc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
Chemical ID:
3845449
Name [?]:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H26N4O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.2281
Area:717.847
Solvation:-4.71805
Coulombic:-41.8123
Bond Count [?]
All:36
Single:24
Double:12
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:458.576
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.39
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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