Chemical ID: 4567202

CCN(CC)CCNc1c2cc(c(cc2nc(n1)c3ccc(c(c3)OC)OC)OCC)OC
Chemical ID:
4567202
Name [?]:
N'-[2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazolin-4-yl]-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNc1c2cc(c(cc2nc(n1)c3ccc(c(c3)OC)OC)OCC)OC
InChi [?]:
InChI=1/C25H34N4O4/c1-7-29(8-2)13-12-26-25-18-15-22(32-6)23(33-9-3)16-19(18)27-24(28-25)17-10-11-20(30-4)21(14-17)31-5/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,5,31,28,26,33,2,4,30,20,21,7,6,24,11,14,19,10,15,22,23,12,13,17,9,8,16,18,3,27,25,32,29/E:(1,2)(7,8)/rA:33nCCNCCCCNCCCCCCCNCNCCCCCCOCOCOCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s13;s29;s30;s12;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N4O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.96482
Area:736.043
Solvation:-8.43626
Coulombic:-56.0365
Bond Count [?]
All:35
Single:27
Double:8
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:454.562
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.73
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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