Chemical ID: 4565655

CC(=O)Oc1ccc(cc1OC)C(=O)Nc2cc(c(cc2C(=O)O)OC)OC
Chemical ID:
4565655
Name [?]:
2-(4-acetoxy-3-methoxy-benzoyl)amino-4,5-dimethoxy-benzoic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C(=O)Nc2cc(c(cc2C(=O)O)OC)OC
InChi [?]:
InChI=1/C19H19NO8/c1-10(21)28-14-6-5-11(7-15(14)25-2)18(22)20-13-9-17(27-4)16(26-3)8-12(13)19(23)24/h5-9H,1-4H3,(H,20,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,26,28,7,6,9,20,17,2,8,21,16,5,10,19,18,13,22,15,3,14,23,24,11,25,27,4/E:(23,24)/rA:28nCCOOCCCCCCOCCONCCCCCCCOOOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;s19;s25;s18;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO8
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.67512
Area:594.271
Solvation:-8.18166
Coulombic:-85.0951
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.356
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.25
LogP (Chemaxon):2.01

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Descriptor Annotations

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