Chemical ID: 5457488

CCC(C)NC(=O)CSc1nnc(n1C2CCCC2)c3ccc(cc3)C(C)(C)C
Chemical ID:
5457488
Name [?]:
2-[[4-cyclopentyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CSc1nnc(n1C2CCCC2)c3ccc(cc3)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H34N4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:14.2787
Area:666.713
Solvation:-2.38909
Coulombic:-36.0879
Bond Count [?]
All:31
Single:25
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:414.608
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.28
LogP (Chemaxon):5.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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