Chemical ID: 6398165

Cc1cccc(c1)C(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC
Chemical ID:
6398165
Name [?]:
dimethyl 5-(3-methylbenzoyl)aminobenzene-1,3-dicarboxylate
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C18H17NO5/c1-11-5-4-6-12(7-11)16(20)19-15-9-13(17(21)23-2)8-14(10-15)18(22)24-3/h4-10H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,24,4,3,5,7,14,16,12,2,6,15,13,11,8,17,21,10,9,18,22,19,23/E:(2,3)(9,10)(13,14)(17,18)(21,22)(23,24)/rA:24nCCCCCCCCONCCCCCCCOOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s13;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2163
Area:554.531
Solvation:-3.64701
Coulombic:-60.8943
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:327.331
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.3
LogP (Chemaxon):2.66

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue