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Chemical ID: 6382193
Chemical ID:
6382193
Name [?]:
4-methoxy-N-[4-[4-(4-methoxybenzoyl)aminophenoxy]phenyl]-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C28H24N2O5/c1-33-23-11-3-19(4-12-23)27(31)29-21-7-15-25(16-8-21)35-26-17-9-22(10-18-26)30-28(32)20-5-13-24(34-2)14-6-20/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,35,5,7,29,33,13,17,21,23,4,8,30,32,14,16,20,24,6,28,12,22,3,31,15,19,9,26,11,25,10,27,2,34,18/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:35nCOCCCCCCCONCCCCCCOCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7367 |
Area: | 729.525 |
Solvation: | -6.50142 |
Coulombic: | -65.6017 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.85 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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