Chemical ID: 5301120

CCC(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccc(c3)OC
Chemical ID:
5301120
Name [?]:
2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)-acetamide
SMILES [?]:
CCC(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H28N4O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.3599
Area:701.121
Solvation:-4.16812
Coulombic:-43.2359
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:436.571
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.03
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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