Chemical ID: 5984258

CCCCC(CC)C(=O)N1CCCC1C(=O)Nc2nnc(s2)c3cccc(c3)Br
Chemical ID:
5984258
Name [?]:
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-ethylhexanoyl)pyrrolidine-2-carboxamide
SMILES [?]:
CCCCC(CC)C(=O)N1CCCC1C(=O)Nc2nnc(s2)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27BrN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:12.3789
Area:676.617
Solvation:-4.53652
Coulombic:-42.3891
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.435
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.01
LogP (Chemaxon):4.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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