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Chemical ID: 6401628

COc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccc(cc4)OC

Chemical ID:

6401628

Name [?]:

4-methoxy-N-[4-[4-[(4-methoxyphenyl)carbamoyl]phenoxy]phenyl]-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)Nc2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccc(cc4)OC

InChi [?]:

InChI=1/C28H24N2O5/c1-33-23-11-3-19(4-12-23)27(31)30-22-9-17-26(18-10-22)35-25-13-5-20(6-14-25)28(32)29-21-7-15-24(34-2)16-8-21/h3-18H,1-2H3,(H,29,32)(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,35,5,7,21,23,29,33,13,17,4,8,20,24,30,32,14,16,6,22,28,12,3,31,19,15,9,25,27,11,10,26,2,34,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35nCOCCCCCCCONCCCCCCOCCCCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₅
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6132
Area:	727.851
Solvation:	-6.58311
Coulombic:	-65.523

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	468.501
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.27
LogP (Chemaxon):	5.08

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