Chemical ID: 6158719

CC1(Cc2c(sc(n2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl)C(=O)C1)C
Chemical ID:
6158719
Name [?]:
4-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-3-nitro-benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl)C(=O)C1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14ClN3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.41784
Area:552.449
Solvation:-9.39338
Coulombic:-43.5148
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.819
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.86
LogP (Chemaxon):3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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