Chemical ID: 5984392

Cc1ccc(cc1C)NC(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
Chemical ID:
5984392
Name [?]:
N'-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-(3,4-dimethylphenyl)-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22BrN5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.4994
Area:687.898
Solvation:-4.69807
Coulombic:-55.5801
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:500.413
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.26
LogP (Chemaxon):5.14

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Experimental Annotations

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Descriptor Annotations

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