Chemical ID: 5983792

c1cc(ccc1c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc5c(c4)OCO5)Br
Chemical ID:
5983792
Name [?]:
1-benzo[1,3]dioxol-5-ylcarbonyl-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-pyrrolidine-2-carboxamide
SMILES [?]:
c1cc(ccc1c2nnc(s2)NC(=O)C3CCCN3C(=O)c4ccc5c(c4)OCO5)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17BrN4O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.5385
Area:661.953
Solvation:-6.01033
Coulombic:-58.3172
Bond Count [?]
All:35
Single:25
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:501.354
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.66
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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