Chemical ID: 6301207

CCc1cc2c(s1)nc(n(c2=O)NC(=O)c3cccc(c3)Cn4cc(cn4)[N+](=O)[O-])C
Chemical ID:
6301207
Name [?]:
N-(8-ethyl-4-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl)-3-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILES [?]:
CCc1cc2c(s1)nc(n(c2=O)NC(=O)c3cccc(c3)Cn4cc(cn4)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N6O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:7.44088
Area:671.871
Solvation:-9.3559
Coulombic:-54.7449
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:438.461
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.68
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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