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Chemical ID: 7492808
Chemical ID:
7492808
Name [?]:
ethyl 4-(2-benzyloxybenzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C23H21NO4/c1-2-27-23(26)18-12-14-19(15-13-18)24-22(25)20-10-6-7-11-21(20)28-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,17,18,24,28,16,19,7,11,8,10,22,23,6,9,15,20,13,4,12,14,5,3,21/E:(4,5)(8,9)(12,13)(14,15)/rA:28nCCOCOCCCCCCNCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO4 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6682 |
Area: | 625.529 |
Solvation: | -4.97002 |
Coulombic: | -50.3566 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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