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Chemical ID: 4129936

Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)c3ccc(cc3)OCc4ccc(cc4)C

Chemical ID:

4129936

Name [?]:

4-(p-tolylmethoxy)-N-[[4-(p-tolylmethoxy)phenyl]methyleneamino]benzamide

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)c3ccc(cc3)OCc4ccc(cc4)C

InChi [?]:

InChI=1/C30H28N2O3/c1-22-3-7-25(8-4-22)20-34-28-15-11-24(12-16-28)19-31-32-30(33)27-13-17-29(18-14-27)35-21-26-9-5-23(2)6-10-26/h3-19H,20-21H2,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,35,3,7,31,33,4,6,30,34,12,14,22,26,11,15,23,25,16,8,28,2,32,13,5,29,21,10,24,19,17,18,20,9,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35nCCCCCCCCOCCCCCCCNNCOCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8325
Area:	762.051
Solvation:	-6.21873
Coulombic:	-37.7389

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	464.555
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	8.12
LogP (Chemaxon):	7.23

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value