Chemical ID: 7340081

c1ccc(cc1)C(C(=O)O)NC(=O)Cn2cnc3ccccc3c2=O
Chemical ID:
7340081
Name [?]:
2-[2-(4-oxoquinazolin-3-yl)acetyl]amino-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)NC(=O)Cn2cnc3ccccc3c2=O
InChi [?]:
InChI=1/C18H15N3O4/c22-15(20-16(18(24)25)12-6-2-1-3-7-12)10-21-11-19-14-9-5-4-8-13(14)17(21)23/h1-9,11,16H,10H2,(H,20,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,20,3,5,22,19,14,16,4,23,18,12,7,24,8,17,11,15,13,25,9,10/E:(2,3)(6,7)(24,25)/rA:25cCCCCCCCCOONCOCNCNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;d12;s12;s14;s15;d16;s17;s18;d19;s20;d21;d18s22;s15s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:40
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.65329
Area:536.752
Solvation:-4.76551
Coulombic:-70.7911
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.97
LogP (Chemaxon):1.16

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