Chemical ID: 5983723

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Br)NC(=O)c3ccccc3
Chemical ID:
5983723
Name [?]:
N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Br)NC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:13.2477
Area:657.417
Solvation:-3.18769
Coulombic:-50.7745
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:473.387
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.9
LogP (Chemaxon):4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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