Chemical ID: 5960226

CC1CN(CCN1C(=O)c2ccc(cc2)C(C)(C)C)c3nc(ns3)Cc4ccc(cc4)F
Chemical ID:
5960226
Name [?]:
[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-(4-tert-butylphenyl)-methanone
SMILES [?]:
CC1CN(CCN1C(=O)c2ccc(cc2)C(C)(C)C)c3nc(ns3)Cc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29FN4OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:13.1982
Area:678.954
Solvation:-3.77563
Coulombic:-40.4201
Bond Count [?]
All:35
Single:26
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.589
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.01
LogP (Chemaxon):6.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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