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Chemical ID: 4520614
Chemical ID:
4520614
Name [?]:
2-ethyl-3-[4-(2-ethyl-4-oxo-quinazolin-3-yl)butyl]quinazolin-4-one
SMILES [?]:
CCc1nc2ccccc2c(=O)n1CCCCn3c(nc4ccccc4c3=O)CC
InChi [?]:
InChI=1/C24H26N4O2/c1-3-21-25-19-13-7-5-11-17(19)23(29)27(21)15-9-10-16-28-22(4-2)26-20-14-8-6-12-18(20)24(28)30/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,8,24,7,23,15,16,9,25,6,22,14,17,10,26,5,21,3,19,11,27,4,20,13,18,12,28/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCCCNCCCCCCCONCCCCNCNCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s14;s15;s16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;s18s26;d27;s19;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N4O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0746 |
Area: | 640.588 |
Solvation: | -2.94011 |
Coulombic: | -45.8825 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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