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Chemical ID: 6434005

CC(=NNC(=O)c1cc(c(c(c1)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4)c5ccccc5

Chemical ID:

6434005

Name [?]:

3,4,5-tribenzyloxy-N-(1-phenylethylideneamino)benzamide

SMILES [?]:

CC(=NNC(=O)c1cc(c(c(c1)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4)c5ccccc5

InChi [?]:

InChI=1/C36H32N2O4/c1-27(31-20-12-5-13-21-31)37-38-36(39)32-22-33(40-24-28-14-6-2-7-15-28)35(42-26-30-18-10-4-11-19-30)34(23-32)41-25-29-16-8-3-9-17-29/h2-23H,24-26H2,1H3,(H,38,39)

InChi Info:

AuxInfo=1/1/N:1,18,34,26,40,17,19,33,35,25,27,39,41,16,20,32,36,24,28,38,42,12,8,14,30,22,2,15,31,23,37,7,11,9,10,5,3,4,6,13,29,21/E:(2,3)(6,7,8,9)(10,11)(12,13)(14,15,16,17)(18,19)(20,21)(22,23)(24,25)(28,29)(33,34)(40,41)/rA:42nCCNNCOCCCCCCOCCCCCCCOCCCCCCCOCCCCCCCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s10;s21;s22;s23;d24;s25;d26;d23s27;s9;s29;s30;s31;d32;s33;d34;d31s35;s2;s37;d38;s39;d40;d37s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₆H₃₂N₂O₄
All Atoms:	42
Heavy Atoms:	42
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4113
Area:	881.957
Solvation:	-8.63762
Coulombic:	-46.5289

Bond Count [?]

All:	46
Single:	29
Double:	17
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	556.65
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	8.61
LogP (Chemaxon):	7.45

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value