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Chemical ID: 7279493
Chemical ID:
7279493
Name [?]:
N-[4-[(2-phenoxyphenyl)carbamoylmethoxy]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3ccccc3Oc4ccccc4
InChi [?]:
InChI=1/C27H22N2O4/c30-26(29-24-13-7-8-14-25(24)33-23-11-5-2-6-12-23)19-32-22-17-15-21(16-18-22)28-27(31)20-9-3-1-4-10-20/h1-18H,19H2,(H,28,31)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,31,2,6,30,32,23,24,3,5,29,33,22,25,11,15,12,14,17,4,10,13,28,21,26,18,7,9,20,19,8,16,27/E:(3,4)(5,6)(9,10)(11,12)(15,16)(17,18)/rA:33nCCCCCCCONCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N2O4 |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8847 |
Area: | 696.149 |
Solvation: | -5.51903 |
Coulombic: | -60.4475 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.475 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.13 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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