Chemical ID: 3888805

CC1CCN(CC1)C(=O)CSc2nnc(n2C)c3ccc(cc3)S(=O)(=O)N4CCCC4
Chemical ID:
3888805
Name [?]:
1-(4-methyl-1-piperidyl)-2-[[4-methyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
CC1CCN(CC1)C(=O)CSc2nnc(n2C)c3ccc(cc3)S(=O)(=O)N4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N5O3S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.337
Area:692.433
Solvation:-3.9738
Coulombic:-35.5458
Bond Count [?]
All:34
Single:26
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:463.619
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.07
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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