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Chemical ID: 7343748
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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