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Chemical ID: 4701362
Chemical ID:
4701362
Name [?]:
ethyl 2-(2-benzoylphenyl)amino-2-oxo-acetate
SMILES [?]:
CCOC(=O)C(=O)Nc1ccccc1C(=O)c2ccccc2
InChi [?]:
InChI=1/C17H15NO4/c1-2-22-17(21)16(20)18-14-11-7-6-10-13(14)15(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,12,11,18,22,13,10,17,14,9,15,6,4,8,16,7,5,3/E:(4,5)(8,9)/rA:22nCCOCOCONCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88031 |
Area: | 506.322 |
Solvation: | -2.77773 |
Coulombic: | -55.5654 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.39 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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