Chemical ID: 6001417

Cc1cnc(s1)NC(=O)CN(CC=C)C(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6001417
Name [?]:
N-allyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-3-nitro-benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CC=C)C(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H16N4O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.10676
Area:571.896
Solvation:-10.1906
Coulombic:-53.2404
Bond Count [?]
All:26
Single:17
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.389
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.11
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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