Chemical ID: 6279070

CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccccc3[N+](=O)[O-])C(=O)OCC
Chemical ID:
6279070
Name [?]:
ethyl 3-(ethoxycarbonylmethyl)-2-(2-nitrobenzoyl)imino-benzothiazole-6-carboxylate
SMILES [?]:
CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccccc3[N+](=O)[O-])C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N3O7S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:5.22009
Area:664.036
Solvation:-11.3808
Coulombic:-69.8717
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:457.458
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:4.1
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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