Chemical ID: 5623325

COc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OC
Chemical ID:
5623325
Name [?]:
methyl 4-(2-methoxybenzoyl)aminobenzoate
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H15NO4/c1-20-14-6-4-3-5-13(14)15(18)17-12-9-7-11(8-10-12)16(19)21-2/h3-10H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,6,5,7,4,14,16,13,17,15,12,8,3,9,18,11,10,19,2,20/E:(7,8)(9,10)/rA:21nCOCCCCCCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.49065
Area:486.614
Solvation:-4.6747
Coulombic:-48.0317
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:285.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.4

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Descriptor Annotations

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