Chemical ID: 5522710

CC1CCCCN1C(=O)CSc2nnc(n2c3ccccc3)c4cccc(c4)OC
Chemical ID:
5522710
Name [?]:
2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1-piperidyl)-ethanone
SMILES [?]:
CC1CCCCN1C(=O)CSc2nnc(n2c3ccccc3)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1024
Area:636.198
Solvation:-3.80251
Coulombic:-37.2837
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.544
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.91
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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