Chemical ID: 5752844

CC1CCN(CC1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4Cl
Chemical ID:
5752844
Name [?]:
2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)-ethanone
SMILES [?]:
CC1CCN(CC1)C(=O)CSc2nnc(n2Cc3ccccc3)c4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25ClN4OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.1243
Area:645.591
Solvation:-3.01553
Coulombic:-31.6303
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.99
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.81
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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