Chemical ID: 5983958

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)Br
Chemical ID:
5983958
Name [?]:
4-bromo-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.9401
Area:702.116
Solvation:-4.61278
Coulombic:-56.8018
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:503.413
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.81
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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