Chemical ID: 6307246

Cc1cccc(c1)c2csc(c2C(=O)OC)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6307246
Name [?]:
methyl 2-(3,5-dinitrobenzoyl)amino-4-(m-tolyl)thiophene-3-carboxylate
SMILES [?]:
Cc1cccc(c1)c2csc(c2C(=O)OC)NC(=O)c3cc(cc(c3)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15N3O7S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:0.481269
Area:657.45
Solvation:-15.955
Coulombic:-56.9714
Bond Count [?]
All:33
Single:21
Double:12
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:441.415
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:4.54
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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