Chemical ID: 5992324

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)F)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C
Chemical ID:
5992324
Name [?]:
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-4-methyl-3-nitro-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)F)NC(=O)c3ccc(c(c3)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22FN5O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:8.0345
Area:700.971
Solvation:-9.48978
Coulombic:-63.718
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:471.506
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.26
LogP (Chemaxon):4.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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