Chemical ID: 7343748

c1ccc(cc1)CC(C(=O)O)NC(=O)Cn2cnc3ccccc3c2=O
Chemical ID:
7343748
Name [?]:
2-[2-(4-oxoquinazolin-3-yl)acetyl]amino-3-phenyl-propanoic acid
SMILES [?]:
c1ccc(cc1)CC(C(=O)O)NC(=O)Cn2cnc3ccccc3c2=O
InChi [?]:
InChI=1/C19H17N3O4/c23-17(21-16(19(25)26)10-13-6-2-1-3-7-13)11-22-12-20-15-9-5-4-8-14(15)18(22)24/h1-9,12,16H,10-11H2,(H,21,23)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,21,3,5,23,20,7,15,17,4,24,19,8,13,25,9,18,12,16,14,26,10,11/E:(2,3)(6,7)(25,26)/rA:26cCCCCCCCCCOONCOCNCNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;s12;d13;s13;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:8.94655
Area:555.453
Solvation:-4.93976
Coulombic:-70.247
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.356
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.36
LogP (Chemaxon):1.43

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