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Chemical ID: 6621032

COc1ccc(cc1OC)C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(c(c2)OC)OC

Chemical ID:

6621032

Name [?]:

N,N'-bis[(3,4-dimethoxyphenyl)methyleneamino]nonanediamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C27H36N4O6/c1-34-22-14-12-20(16-24(22)36-3)18-28-30-26(32)10-8-6-5-7-9-11-27(33)31-29-19-21-13-15-23(35-2)25(17-21)37-4/h12-19H,5-11H2,1-4H3,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,37,10,35,19,18,20,17,21,16,22,5,29,4,30,7,33,11,27,6,28,3,31,8,32,14,23,12,26,13,25,15,24,2,36,9,34/E:(1,2)(3,4)(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)/gE:(1,2)/rA:37nCOCCCCCCOCCNNCOCCCCCCCCONNCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s22;d23;s23;s25;w26;s27;s28;d29;s30;d31;d28s32;s32;s34;s31;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₆N₄O₆
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	7.9362
Area:	851.122
Solvation:	-13.3419
Coulombic:	-61.763

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	18
Chiral:	2
Rigid Segments:	13

Chemical Properties

Molecular Weight:	512.598
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	5.55
LogP (Chemaxon):	3.96

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