Chemical ID: 3968031

COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Br
Chemical ID:
3968031
Name [?]:
N-(3-bromophenyl)-6,7-dimethoxy-quinazolin-4-amine
SMILES [?]:
COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Br
InChi [?]:
InChI=1/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,18,19,17,21,4,7,12,20,16,5,6,3,8,14,22,11,13,15,2,9/rA:22nCOCCCCCCOCNCNCNCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5d13;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14BrN3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.49133
Area:494.759
Solvation:-4.87764
Coulombic:-35.6622
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.205
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.55

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