Chemical ID: 5992298

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)F)NC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
5992298
Name [?]:
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]-3-nitro-benzamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)F)NC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20FN5O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:7.11498
Area:685.609
Solvation:-10.0252
Coulombic:-63.2458
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:457.479
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.03
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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