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Chemical ID: 4190083
Chemical ID:
4190083
Name [?]:
N-(4-benzamidophenyl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(cc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C23H22N2O5/c1-28-19-13-16(14-20(29-2)21(19)30-3)23(27)25-18-11-9-17(10-12-18)24-22(26)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,12,10,28,27,29,26,30,18,20,17,21,4,6,25,5,19,16,3,7,8,23,13,22,15,24,14,2,11,9/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(19,20)(28,29)/rA:30nCOCCCCCCOCOCCONCCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O5 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49032 |
Area: | 640.972 |
Solvation: | -7.53398 |
Coulombic: | -64.2467 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 406.431 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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