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Chemical ID: 7498385
Chemical ID:
7498385
Name [?]:
4-isopropoxy-N-(4-phenoxyphenyl)-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C22H21NO3/c1-16(2)25-20-12-8-17(9-13-20)22(24)23-18-10-14-21(15-11-18)26-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,24,23,25,22,26,7,9,15,19,6,10,16,18,2,8,14,21,5,17,11,13,12,4,20/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCOCCCCCCCONCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO3 |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7705 |
Area: | 578.008 |
Solvation: | -3.67972 |
Coulombic: | -38.9204 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.27 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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