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Chemical ID: 4526325
Chemical ID:
4526325
Name [?]:
ethyl 4-[(2-phenyl-4-quinolyl)carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2cc(nc3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C25H20N2O3/c1-2-30-25(29)18-12-14-19(15-13-18)26-24(28)21-16-23(17-8-4-3-5-9-17)27-22-11-7-6-10-20(21)22/h3-16H,2H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,22,23,26,30,21,24,7,11,8,10,16,25,6,9,20,15,19,17,13,4,12,18,14,5,3/E:(4,5)(8,9)(12,13)(14,15)/rA:30nCCOCOCCCCCCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s17;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7791 |
Area: | 638.135 |
Solvation: | -3.17431 |
Coulombic: | -49.4869 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.438 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.48 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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