Chemical ID: 4807887

COc1ccc(cc1OC)Cc2nnc(s2)NC(=O)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4807887
Name [?]:
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide
SMILES [?]:
COc1ccc(cc1OC)Cc2nnc(s2)NC(=O)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:3.04141
Area:630.173
Solvation:-12.7129
Coulombic:-49.2191
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.41
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.36
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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