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Chemical ID: 6925429

CC(=NNC(=O)COc1ccc2c(c1)CCC2)c3ccc(c(c3)OC)OCc4ccccc4

Chemical ID:

6925429

Name [?]:

N-[1-(4-benzyloxy-3-methoxy-phenyl)ethylideneamino]-2-indan-5-yloxy-acetamide

SMILES [?]:

CC(=NNC(=O)COc1ccc2c(c1)CCC2)c3ccc(c(c3)OC)OCc4ccccc4

InChi [?]:

InChI=1/C27H28N2O4/c1-19(28-29-27(30)18-32-24-13-11-21-9-6-10-23(21)15-24)22-12-14-25(26(16-22)31-2)33-17-20-7-4-3-5-8-20/h3-5,7-8,11-16H,6,9-10,17-18H2,1-2H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,25,31,30,32,16,29,33,17,15,11,19,10,20,14,23,27,7,2,28,12,18,13,9,21,22,5,3,4,6,24,8,26/E:(4,5)(7,8)/rA:33nCCNNCOCOCCCCCCCCCCCCCCCOCOCCCCCCC/rB:s1;w2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12s16;s2;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₈N₂O₄
All Atoms:	61
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	8.94386
Area:	721.833
Solvation:	-9.10197
Coulombic:	-40.8894

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	444.522
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.98
LogP (Chemaxon):	4.75

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