Chemical ID: 5984375

c1ccc(cc1)NC(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
Chemical ID:
5984375
Name [?]:
N'-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-phenyl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18BrN5O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.4828
Area:645.798
Solvation:-4.66215
Coulombic:-56.0606
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:472.359
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.39
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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