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Chemical ID: 7343726
Chemical ID:
7343726
Name [?]:
2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)NC(=O)CCn2cnc3ccccc3c2=O
InChi [?]:
InChI=1/C19H17N3O4/c23-16(21-17(19(25)26)13-6-2-1-3-7-13)10-11-22-12-20-15-9-5-4-8-14(15)18(22)24/h1-9,12,17H,10-11H2,(H,21,23)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,14,15,17,4,24,19,12,7,25,8,18,11,16,13,26,9,10/E:(2,3)(6,7)(25,26)/rA:26cCCCCCCCCOONCOCCNCNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;d12;s12;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;s16s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O4 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0804 |
Area: | 568.871 |
Solvation: | -4.14133 |
Coulombic: | -70.9617 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.356 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.13 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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