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Chemical ID: 7038829
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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