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Chemical ID: 6433989

COc1ccc(cc1OC)C=NNC(=O)c2cc(c(c(c2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5

Chemical ID:

6433989

Name [?]:

3,4,5-tribenzyloxy-N-[(3,4-dimethoxyphenyl)methyleneamino]benzamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)c2cc(c(c(c2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5

InChi [?]:

InChI=1/C37H34N2O6/c1-41-32-19-18-30(20-33(32)42-2)23-38-39-37(40)31-21-34(43-24-27-12-6-3-7-13-27)36(45-26-29-16-10-5-11-17-29)35(22-31)44-25-28-14-8-4-9-15-28/h3-23H,24-26H2,1-2H3,(H,39,40)

InChi Info:

AuxInfo=1/1/N:1,10,27,43,35,26,28,42,44,34,36,25,29,41,45,33,37,5,4,7,21,17,11,23,39,31,24,40,32,6,16,3,8,20,18,19,14,12,13,15,2,9,22,38,30/E:(3,4)(6,7,8,9)(10,11)(12,13,14,15)(16,17)(21,22)(24,25)(27,28)(34,35)(43,44)/rA:45nCOCCCCCCOCCNNCOCCCCCCOCCCCCCCOCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;d25;s26;d27;d24s28;s19;s30;s31;s32;d33;s34;d35;d32s36;s18;s38;s39;s40;d41;s42;d43;d40s44;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₇H₃₄N₂O₆
All Atoms:	45
Heavy Atoms:	45
Chiral Atoms:	0

ZAP Information [?]

Total:	9.82586
Area:	881.95
Solvation:	-12.2229
Coulombic:	-58.5412

Bond Count [?]

All:	49
Single:	32
Double:	17
Rotors:	15
Chiral:	1
Rigid Segments:	12

Chemical Properties

Molecular Weight:	602.676
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	8.03
LogP (Chemaxon):	7.31

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