Chemical ID: 5464089

CCOc1ccc(cc1)n2c(nnc2SCC(=O)NC(C)c3ccccc3)c4ccc(cc4)OC
Chemical ID:
5464089
Name [?]:
2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILES [?]:
CCOc1ccc(cc1)n2c(nnc2SCC(=O)NC(C)c3ccccc3)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H28N4O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.4618
Area:758.66
Solvation:-5.50473
Coulombic:-49.7807
Bond Count [?]
All:38
Single:26
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:488.602
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.02
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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