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Chemical ID: 4151337
Chemical ID:
4151337
Name [?]:
ethyl 4-[2-[4-(p-tolyl)phenoxy]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H23NO4/c1-3-28-24(27)20-8-12-21(13-9-20)25-23(26)16-29-22-14-10-19(11-15-22)18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,2,25,27,24,28,7,11,19,21,8,10,18,22,15,26,23,20,6,9,17,13,4,12,14,5,3,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCOCOCCCCCCNCOCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2427 |
Area: | 655.36 |
Solvation: | -5.1413 |
Coulombic: | -49.7206 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.41 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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