Chemical ID: 4567190

COc1ccc(cc1OC)C2Nc3ccccc3C(=O)N2Cc4ccccc4
Chemical ID:
4567190
Name [?]:
3-benzyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILES [?]:
COc1ccc(cc1OC)C2Nc3ccccc3C(=O)N2Cc4ccccc4
InChi [?]:
InChI=1/C23H22N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-24-19-11-7-6-10-18(19)23(26)25(22)15-16-8-4-3-5-9-16/h3-14,22,24H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,26,25,27,16,15,24,28,17,14,5,4,7,22,23,6,18,13,3,8,11,19,12,21,20,2,9/E:(4,5)(8,9)/rA:28cCOCCCCCCOCCNCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s11s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.69563
Area:566.583
Solvation:-5.46896
Coulombic:-46.3195
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:374.432
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):4.62

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Descriptor Annotations

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