Chemical ID: 5751672

CCC(C)NC(=O)CSc1nnc(n1C)c2ccccc2
Chemical ID:
5751672
Name [?]:
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CSc1nnc(n1C)c2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H20N4OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.6317
Area:525.857
Solvation:-2.51477
Coulombic:-34.5169
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.412
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.21
LogP (Chemaxon):2.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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