Chemical ID: 5753421

c1ccc(cc1)CCn2c(=O)c3ccccc3nc2c4ccco4
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

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Descriptor Annotations

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