Chemical ID: 5548482

Cc1ccc(cc1)n2c(=O)c3ccc(cc3nc2SCc4cc(cc5c4OCOC5)[N+](=O)[O-])Cl
Chemical ID:
5548482
Name [?]:
7-chloro-2-[(9-nitro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methylsulfanyl]-3-(p-tolyl)quinazolin-4-one
SMILES [?]:
Cc1ccc(cc1)n2c(=O)c3ccc(cc3nc2SCc4cc(cc5c4OCOC5)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H18ClN3O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:7.61945
Area:706.743
Solvation:-10.0491
Coulombic:-50.6252
Bond Count [?]
All:38
Single:26
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:495.936
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.98
LogP (Chemaxon):6.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue