Chemical ID: 4479420

Cc1cc(cc(c1)C(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C
Chemical ID:
4479420
Name [?]:
dimethyl 5-(3,5-dimethylbenzoyl)aminobenzene-1,3-dicarboxylate
SMILES [?]:
Cc1cc(cc(c1)C(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C
InChi [?]:
InChI=1/C19H19NO5/c1-11-5-12(2)7-13(6-11)17(21)20-16-9-14(18(22)24-3)8-15(10-16)19(23)25-4/h5-10H,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,25,20,24,3,7,5,14,16,12,2,4,6,15,13,11,8,17,21,10,9,18,22,19,23/E:(1,2)(3,4)(6,7)(9,10)(11,12)(14,15)(18,19)(22,23)(24,25)/rA:25nCCCCCCCCONCCCCCCCOOCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s13;d21;s21;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7977
Area:577.175
Solvation:-3.63163
Coulombic:-60.6722
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:341.358
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.74
LogP (Chemaxon):3.13

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Descriptor Annotations

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