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Chemical ID: 4567039
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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