Chemical ID: 5983682

c1cc(ccc1c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc(cc4)Br)Cl
Chemical ID:
5983682
Name [?]:
1-(4-bromobenzoyl)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-pyrrolidine-2-carboxamide
SMILES [?]:
c1cc(ccc1c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc(cc4)Br)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16BrClN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.9293
Area:658.155
Solvation:-4.52461
Coulombic:-43.8707
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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