Chemical ID: 5977743

CCCCC(CC)C(=O)NCc1nnc(n1c2ccc(cc2)C)SCc3ccccc3
Chemical ID:
5977743
Name [?]:
N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-ethyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)NCc1nnc(n1c2ccc(cc2)C)SCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H32N4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:15.6412
Area:728.279
Solvation:-2.56582
Coulombic:-36.9697
Bond Count [?]
All:33
Single:24
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:436.614
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.78
LogP (Chemaxon):5.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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