Chemical ID: 7038829

Cc1ccc(cc1)C(=O)NC(c2cc(c(c(c2)OC)OC)OC)NC(=O)c3ccc(cc3)C
Chemical ID:
7038829
Name [?]:
4-methyl-N-[(4-methylbenzoyl)amino-(3,4,5-trimethoxyphenyl)-methyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(c2cc(c(c(c2)OC)OC)OC)NC(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C26H28N2O5/c1-16-6-10-18(11-7-16)25(29)27-24(28-26(30)19-12-8-17(2)9-13-19)20-14-21(31-3)23(33-5)22(15-20)32-4/h6-15,24H,1-5H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,33,19,23,21,3,7,29,31,4,6,28,32,17,13,2,30,5,27,12,16,14,15,11,8,25,10,24,9,26,18,22,20/E:(1,2)(3,4)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(21,22)(25,26)(27,28)(29,30)(31,32)/gE:(1,2)/rA:33nCCCCCCCCONCCCCCCCOCOCOCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;s11;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O5
All Atoms:61
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.48546
Area:694.727
Solvation:-7.88272
Coulombic:-66.5487
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:448.511
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.81
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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