Chemical ID: 5735478

CC(C)CNC(=O)CSc1nnc(n1C2CCCCC2)Cc3cccc4c3cccc4
Chemical ID:
5735478
Name [?]:
2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isobutyl-acetamide
SMILES [?]:
CC(C)CNC(=O)CSc1nnc(n1C2CCCCC2)Cc3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H32N4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.8855
Area:676.234
Solvation:-3.02031
Coulombic:-35.4891
Bond Count [?]
All:34
Single:26
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.614
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.95
LogP (Chemaxon):4.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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