Chemical ID: 5984248

COc1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4cccc(c4)Br
Chemical ID:
5984248
Name [?]:
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxybenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4cccc(c4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19BrN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.6501
Area:658.987
Solvation:-5.82458
Coulombic:-49.9445
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:487.371
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.82
LogP (Chemaxon):3.55

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Experimental Annotations

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Descriptor Annotations

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