Chemical ID: 5983804

c1cc(cc(c1)Cl)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
Chemical ID:
5983804
Name [?]:
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-chlorobenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16BrClN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.9009
Area:653.538
Solvation:-4.43752
Coulombic:-43.8425
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:491.789
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.52
LogP (Chemaxon):4.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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