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Chemical ID: 7340081
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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