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Chemical ID: 6620991

COc1cc(ccc1O)C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(c(c2)OC)O

Chemical ID:

6620991

Name [?]:

N,N'-bis[(4-hydroxy-3-methoxy-phenyl)methyleneamino]nonanediamide

SMILES [?]:

COc1cc(ccc1O)C=NNC(=O)CCCCCCCC(=O)NN=Cc2ccc(c(c2)OC)O

InChi [?]:

InChI=1/C25H32N4O6/c1-34-22-14-18(10-12-20(22)30)16-26-28-24(32)8-6-4-3-5-7-9-25(33)29-27-17-19-11-13-21(31)23(15-19)35-2/h10-17,30-31H,3-9H2,1-2H3,(H,28,32)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,34,18,17,19,16,20,15,21,6,28,7,29,4,32,10,26,5,27,8,30,3,31,13,22,11,25,12,24,9,35,14,23,2,33/E:(1,2)(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)/gE:(1,2)/rA:35nCOCCCCCCOCNNCOCCCCCCCCONNCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;w25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₄O₆
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	8.79737
Area:	808.694
Solvation:	-11.42
Coulombic:	-80.383

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	16
Chiral:	2
Rigid Segments:	11

Chemical Properties

Molecular Weight:	484.545
H-Bond Donors:	4
H-Bond Acceptors:	10
XLogP:	5.44
LogP (Chemaxon):	3.89

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