Chemical ID: 5338063

CC(C)(C)C1CCc2c(sc(n2)NC(=O)c3cccc(c3)[N+](=O)[O-])C1
Chemical ID:
5338063
Name [?]:
3-nitro-N-(6-tert-butyl-4,5,6,7-tetrahydrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CC(C)(C)C1CCc2c(sc(n2)NC(=O)c3cccc(c3)[N+](=O)[O-])C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:5.79379
Area:566.102
Solvation:-8.35877
Coulombic:-38.148
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.444
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.09
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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