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Chemical ID: 5144721
Chemical ID:
5144721
Name [?]:
ethyl 3-[[6-[(3-ethoxycarbonylphenyl)carbamoyl]-2-pyridyl]carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)c2cccc(n2)C(=O)Nc3cccc(c3)C(=O)OCC
InChi [?]:
InChI=1/C25H23N3O6/c1-3-33-24(31)16-8-5-10-18(14-16)26-22(29)20-12-7-13-21(28-20)23(30)27-19-11-6-9-17(15-19)25(32)34-4-2/h5-15H,3-4H2,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,34,2,33,8,26,17,7,27,9,25,16,18,11,29,6,28,10,24,15,19,13,21,4,30,12,23,20,14,22,5,31,3,32/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(29,30)(31,32)(33,34)/gE:(1,2)/rA:34nCCOCOCCCCCCNCOCCCCCNCONCCCCCCCOOCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;d30;s30;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23N3O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.448 |
Area: | 744.312 |
Solvation: | -4.15982 |
Coulombic: | -90.8571 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 461.467 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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