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Chemical ID: 7342507
Chemical ID:
7342507
Name [?]:
2-[2-(2,4-dioxo-1H-quinazolin-3-yl)propanoylamino]-2-phenyl-acetic acid
SMILES [?]:
CC(C(=O)NC(c1ccccc1)C(=O)O)n2c(=O)c3ccccc3[nH]c2=O
InChi [?]:
InChI=1/C19H17N3O5/c1-11(16(23)21-15(18(25)26)12-7-3-2-4-8-12)22-17(24)13-9-5-6-10-14(13)20-19(22)27/h2-11,15H,1H3,(H,20,27)(H,21,23)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,21,22,8,12,20,23,2,7,19,24,6,3,17,13,26,25,5,16,4,18,14,15,27/E:(3,4)(7,8)(25,26)/rA:27cCCCONCCCCCCCCOONCOCCCCCCNCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s6;d13;s13;s2;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s16s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O5 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.25746 |
Area: | 552.523 |
Solvation: | -4.5556 |
Coulombic: | -88.9528 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.355 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.28 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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