Chemical ID: 7492848

COC(=O)c1ccccc1NC(=O)c2ccccc2OCc3ccccc3
Chemical ID:
7492848
Name [?]:
methyl 2-(2-benzyloxybenzoyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)c2ccccc2OCc3ccccc3
InChi [?]:
InChI=1/C22H19NO4/c1-26-22(25)17-11-5-7-13-19(17)23-21(24)18-12-6-8-14-20(18)27-15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,7,16,8,17,23,27,6,15,9,18,21,22,5,14,10,19,12,3,11,13,4,2,20/E:(3,4)(9,10)/rA:27nCOCOCCCCCCNCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19NO4
All Atoms:46
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0269
Area:584.71
Solvation:-4.59086
Coulombic:-50.8304
Bond Count [?]
All:29
Single:18
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:361.391
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.98
LogP (Chemaxon):4.82

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Experimental Annotations

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Descriptor Annotations

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