Chemical ID: 3845447

COc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
Chemical ID:
3845447
Name [?]:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24N4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4709
Area:691.061
Solvation:-4.80562
Coulombic:-41.5489
Bond Count [?]
All:35
Single:23
Double:12
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:444.55
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.97
LogP (Chemaxon):4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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