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Chemical ID: 7500896
Chemical ID:
7500896
Name [?]:
methyl 2-[2-(2-phenoxyethoxy)benzoyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2ccccc2OCCOc3ccccc3
InChi [?]:
InChI=1/C23H21NO5/c1-27-23(26)18-11-5-7-13-20(18)24-22(25)19-12-6-8-14-21(19)29-16-15-28-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,7,16,8,17,25,29,6,15,9,18,22,21,24,5,14,10,19,12,3,11,13,4,2,23,20/E:(3,4)(9,10)/rA:29nCOCOCCCCCCNCOCCCCCCOCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO5 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30947 |
Area: | 626.405 |
Solvation: | -6.35066 |
Coulombic: | -56.9518 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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