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Chemical ID: 6882940

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4)OC

Chemical ID:

6882940

Name [?]:

N-(2-methoxy-5-methyl-phenyl)-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4)OC

InChi [?]:

InChI=1/C29H26N2O5/c1-20-8-17-27(34-2)26(18-20)31-29(33)21-9-13-23(14-10-21)35-19-28(32)30-22-11-15-25(16-12-22)36-24-6-4-3-5-7-24/h3-18H,19H2,1-2H3,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,36,32,31,33,30,34,3,12,16,23,27,13,15,24,26,4,7,18,2,11,22,14,29,25,6,5,19,9,21,8,20,10,35,17,28/E:(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCCCNCOCCCCCCOCCONCCCCCCOCCCCCCOC/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;s25;s28;s29;d30;s31;d32;d29s33;s5;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆N₂O₅
All Atoms:	62
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9082
Area:	752.894
Solvation:	-6.91413
Coulombic:	-66.3178

Bond Count [?]

All:	39
Single:	25
Double:	14
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	482.527
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.48
LogP (Chemaxon):	5.58

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

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Chemical Mix	Source	External ID	Descriptor	Value