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Chemical ID: 7498945

CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC(C)C

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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Chemical Mix	Source	External ID	Descriptor	Value