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Chemical ID: 7492848
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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