Chemical ID: 4567039

COc1ccc(cc1OC)C2Nc3ccccc3C(=O)N2c4ccccc4
Chemical ID:
4567039
Name [?]:
2-(3,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILES [?]:
COc1ccc(cc1OC)C2Nc3ccccc3C(=O)N2c4ccccc4
InChi [?]:
InChI=1/C22H20N2O3/c1-26-19-13-12-15(14-20(19)27-2)21-23-18-11-7-6-10-17(18)22(25)24(21)16-8-4-3-5-9-16/h3-14,21,23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,25,24,26,16,15,23,27,17,14,5,4,7,6,22,18,13,3,8,11,19,12,21,20,2,9/E:(4,5)(8,9)/rA:27cCOCCCCCCOCCNCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s11s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.84422
Area:541.069
Solvation:-5.6825
Coulombic:-45.1515
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.406
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):4.53

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