Chemical ID: 5983551

c1ccc(cc1)CC(C(=O)Nc2nnc(s2)c3ccccc3)NC(=O)c4cccc(c4)[N+](=O)[O-]
Chemical ID:
5983551
Name [?]:
3-nitro-N-[2-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]-benzamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)Nc2nnc(s2)c3ccccc3)NC(=O)c4cccc(c4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H19N5O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.83085
Area:703.596
Solvation:-9.75905
Coulombic:-60.5346
Bond Count [?]
All:37
Single:23
Double:14
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:473.505
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.09
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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