Chemical ID: 4625198

CC(C)(C)c1cc([nH]n1)C(=O)NN=Cc2ccc(s2)[N+](=O)[O-]
Chemical ID:
4625198
Name [?]:
N-[(5-nitro-2-thienyl)methyleneamino]-5-tert-butyl-2H-pyrazole-3-carboxamide
SMILES [?]:
CC(C)(C)c1cc([nH]n1)C(=O)NN=Cc2ccc(s2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15N5O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:3.06159
Area:521.148
Solvation:-9.96712
Coulombic:-39.1522
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:321.356
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.46
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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