Chemical ID: 6158695

Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2nc3c(s2)C(=O)CC(C3)(C)C
Chemical ID:
6158695
Name [?]:
N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-4-methyl-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2nc3c(s2)C(=O)CC(C3)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H17N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.7875
Area:549.749
Solvation:-8.95621
Coulombic:-44.9954
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.401
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.46
LogP (Chemaxon):3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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