Chemical ID: 6146807

c1ccc(cc1)CCn2cnc3c(c2=O)c(cs3)c4cccc(c4)[N+](=O)[O-]
Chemical ID:
6146807
Name [?]:
7-(3-nitrophenyl)-4-phenethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
c1ccc(cc1)CCn2cnc3c(c2=O)c(cs3)c4cccc(c4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.13804
Area:580.393
Solvation:-7.37179
Coulombic:-36.3901
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.418
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.68
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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