Chemical ID: 4639640

CCOc1ccc(cc1)n2c(=O)c3ccccc3nc2c4ccc(cc4)OC
Chemical ID:
4639640
Name [?]:
3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-quinazolin-4-one
SMILES [?]:
CCOc1ccc(cc1)n2c(=O)c3ccccc3nc2c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H20N2O3/c1-3-28-19-14-10-17(11-15-19)25-22(16-8-12-18(27-2)13-9-16)24-21-7-5-4-6-20(21)23(25)26/h4-15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,15,16,14,17,22,26,6,8,23,25,5,9,21,7,24,4,13,18,20,11,19,10,12,27,3/E:(8,9)(10,11)(12,13)(14,15)/rA:28nCCOCCCCCCNCOCCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s10d19;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.94438
Area:570.775
Solvation:-4.32499
Coulombic:-39.1625
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.417
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):4.43

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Descriptor Annotations

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