Chemical ID: 5960233

CC1CN(CCN1C(=O)c2cccc(c2)Br)c3nc(ns3)Cc4ccc(cc4)F
Chemical ID:
5960233
Name [?]:
(3-bromophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methyl-piperazin-1-yl]-methanone
SMILES [?]:
CC1CN(CCN1C(=O)c2cccc(c2)Br)c3nc(ns3)Cc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20BrFN4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.9245
Area:628.105
Solvation:-3.77811
Coulombic:-39.3843
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:475.378
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):5.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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