Chemical ID: 5983795

CCCCc1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
Chemical ID:
5983795
Name [?]:
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-butylbenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25BrN4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.5071
Area:720.622
Solvation:-4.50848
Coulombic:-44.6572
Bond Count [?]
All:35
Single:25
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:513.451
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.94
LogP (Chemaxon):5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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