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Chemical ID: 6645692

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccccc2)Oc3ccc(cc3)OCc4ccccc4

Chemical ID:

6645692

Name [?]:

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

SMILES [?]:

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccccc2)Oc3ccc(cc3)OCc4ccccc4

InChi [?]:

InChI=1/C31H30N2O5/c1-23(38-28-16-14-27(15-17-28)36-21-24-9-5-3-6-10-24)31(34)33-32-20-26-13-18-29(30(19-26)35-2)37-22-25-11-7-4-8-12-25/h3-20,23H,21-22H2,1-2H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,15,36,21,35,37,20,22,34,38,19,23,9,27,29,26,30,10,13,7,32,17,2,33,18,8,28,25,11,12,3,6,5,4,14,31,16,24/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:38cCCCONNCCCCCCCOCOCCCCCCCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s2;s24;s25;d26;s27;d28;d25s29;s28;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₀N₂O₅
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	9.95976
Area:	821.387
Solvation:	-10.5749
Coulombic:	-50.2991

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	13
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	510.58
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	7.1
LogP (Chemaxon):	6.35

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