Chemical ID: 4350136

Cc1c(c(n(n1)Cc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5ccc(cc5)OC)C)[N+](=O)[O-]
Chemical ID:
4350136
Name [?]:
2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILES [?]:
Cc1c(c(n(n1)Cc2cc(ccc2OC)C3Nc4ccccc4C(=O)N3c5ccc(cc5)OC)C)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H27N5O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:8.45963
Area:722.25
Solvation:-9.59663
Coulombic:-63.4874
Bond Count [?]
All:42
Single:29
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:513.545
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.11
LogP (Chemaxon):4.72

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