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Chemical ID: 6883741

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc4c3cccc4)OC

Chemical ID:

6883741

Name [?]:

N-(2-methoxy-5-methyl-phenyl)-4-(1-naphthylcarbamoylmethoxy)benzamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc4c3cccc4)OC

InChi [?]:

InChI=1/C27H24N2O4/c1-18-10-15-25(32-2)24(16-18)29-27(31)20-11-13-21(14-12-20)33-17-26(30)28-23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31)

InChi Info:

AuxInfo=1/1/N:1,33,30,29,24,31,25,28,23,3,12,16,13,15,4,7,18,2,26,11,14,27,22,6,5,19,9,21,8,20,10,32,17/E:(11,12)(13,14)/rA:33nCCCCCCCNCOCCCCCCOCCONCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;s5;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄N₂O₄
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0054
Area:	690.564
Solvation:	-6.25868
Coulombic:	-58.9524

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	440.491
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.26
LogP (Chemaxon):	5.15

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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