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Chemical ID: 6644325

COc1cc(ccc1OCc2ccccc2)C=NNC(=O)COc3ccc(cc3)OCc4ccccc4

Chemical ID:

6644325

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(4-benzyloxyphenoxy)-acetamide

SMILES [?]:

COc1cc(ccc1OCc2ccccc2)C=NNC(=O)COc3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C30H28N2O5/c1-34-29-18-25(12-17-28(29)37-21-24-10-6-3-7-11-24)19-31-32-30(33)22-36-27-15-13-26(14-16-27)35-20-23-8-4-2-5-9-23/h2-19H,20-22H2,1H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,35,14,34,36,13,15,33,37,12,16,6,26,28,25,29,7,4,17,31,10,22,32,11,5,27,24,8,3,20,18,19,21,2,30,23,9/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:37nCOCCCCCCOCCCCCCCCNNCOCOCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₅
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	9.12728
Area:	802.479
Solvation:	-10.9347
Coulombic:	-49.2636

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	496.554
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.57
LogP (Chemaxon):	5.81

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value