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Chemical ID: 4639640
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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