Chemical ID: 6004230

Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)c3ccc(cc3)Br
Chemical ID:
6004230
Name [?]:
4-bromo-N-[2-methyl-1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]propyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.3666
Area:665.485
Solvation:-3.27056
Coulombic:-50.2298
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:473.387
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.77
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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