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Chemical ID: 5753421
Chemical ID:
5753421
Name [?]:
2-(2-furyl)-3-phenethyl-quinazolin-4-one
SMILES [?]:
c1ccc(cc1)CCn2c(=O)c3ccccc3nc2c4ccco4
InChi [?]:
InChI=1/C20H16N2O2/c23-20-16-9-4-5-10-17(16)21-19(18-11-6-14-24-18)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,22,3,5,13,16,21,7,8,23,4,12,17,20,19,10,18,9,11,24/E:(2,3)(7,8)/rA:24nCCCCCCCCNCOCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s9d18;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.193 |
Area: | 498.331 |
Solvation: | -2.26523 |
Coulombic: | -33.8744 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.36 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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