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Chemical ID: 4169095

COc1ccccc1NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4OC

Chemical ID:

4169095

Name [?]:

N-(2-methoxyphenyl)-4-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-benzamide

SMILES [?]:

COc1ccccc1NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,35,6,30,5,31,7,29,4,32,13,17,21,23,14,16,20,24,12,22,15,19,8,28,3,33,10,25,9,27,11,26,2,34,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:35nCOCCCCCCNCOCCCCCCOCCCCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.2195
Area:	720.238
Solvation:	-5.78648
Coulombic:	-68.1327

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

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value