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Chemical ID: 4299239
Chemical ID:
4299239
Name [?]:
N-(4-methoxyphenyl)-4-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccc(cc4)OC
InChi [?]:
InChI=1/C28H24N2O5/c1-33-23-15-7-21(8-16-23)29-27(31)19-3-11-25(12-4-19)35-26-13-5-20(6-14-26)28(32)30-22-9-17-24(34-2)18-10-22/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,35,13,17,21,23,5,7,29,33,14,16,20,24,4,8,30,32,12,22,6,28,3,31,15,19,10,25,9,27,11,26,2,34,18/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:35nCOCCCCCCNCOCCCCCCOCCCCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;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: | 11.4508 |
Area: | 728.086 |
Solvation: | -6.75136 |
Coulombic: | -65.3456 |
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: | 5.27 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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