Chemical ID: 7343726

c1ccc(cc1)C(C(=O)O)NC(=O)CCn2cnc3ccccc3c2=O
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

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Descriptor Annotations

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