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Chemical ID: 7504023
Chemical ID:
7504023
Name [?]:
2-(3-ethoxybenzoyl)amino-N-(4-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccccc2NC(=O)c3cccc(c3)OCC
InChi [?]:
InChI=1/C24H24N2O4/c1-3-29-19-14-12-18(13-15-19)25-24(28)21-10-5-6-11-22(21)26-23(27)17-8-7-9-20(16-17)30-4-2/h5-16H,3-4H2,1-2H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,15,16,24,23,25,14,17,6,8,5,9,27,22,7,4,26,13,18,20,11,10,19,21,12,3,28/E:(12,13)(14,15)/rA:30nCCOCCCCCCNCOCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2039 |
Area: | 654.418 |
Solvation: | -5.15656 |
Coulombic: | -58.556 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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