Chemical ID: 4144119

CCOC(=O)c1cccc(c1)Nc2c3cc(ccc3ncn2)Br
Chemical ID:
4144119
Name [?]:
ethyl 3-(6-bromoquinazolin-4-yl)aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)Nc2c3cc(ccc3ncn2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14BrN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6357
Area:523.524
Solvation:-2.45241
Coulombic:-42.7516
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:372.216
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):3.95

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