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Chemical ID: 7498945
Chemical ID:
7498945
Name [?]:
4-isopropoxy-N-[4-[4-(4-isopropoxybenzoyl)aminophenoxy]phenyl]-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC(C)C
InChi [?]:
InChI=1/C32H32N2O5/c1-21(2)37-27-13-5-23(6-14-27)31(35)33-25-9-17-29(18-10-25)39-30-19-11-26(12-20-30)34-32(36)24-7-15-28(16-8-24)38-22(3)4/h5-22H,1-4H3,(H,33,35)(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,3,38,39,7,9,31,35,15,19,23,25,6,10,32,34,16,18,22,26,2,37,8,30,14,24,5,33,17,21,11,28,13,27,12,29,4,36,20/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)(35,36)(37,38)/gE:(1,2)/rA:39nCCCOCCCCCCCONCCCCCCOCCCCCCNCOCCCCCCOCCC/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;s24;s27;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N2O5 |
All Atoms: | 71 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5294 |
Area: | 823.869 |
Solvation: | -6.06728 |
Coulombic: | -66.8147 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 14 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 524.607 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 6.62 |
LogP (Chemaxon): | 6.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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