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Chemical ID: 5823195

CCC(C)COC(c1ccccc1)(c2ccccc2)C(C(=O)O)Oc3nc(cc(n3)C)C

Chemical ID:

5823195

Name [?]:

2-(4,6-dimethylpyrimidin-2-yl)oxy-3-(2-methylbutoxy)-3,3-diphenyl-propanoic acid

SMILES [?]:

CCC(C)COC(c1ccccc1)(c2ccccc2)C(C(=O)O)Oc3nc(cc(n3)C)C

InChi [?]:

InChI=1/C26H30N2O4/c1-5-18(2)17-31-26(21-12-8-6-9-13-21,22-14-10-7-11-15-22)23(24(29)30)32-25-27-19(3)16-20(4)28-25/h6-16,18,23H,5,17H2,1-4H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,4,31,32,2,11,17,10,12,16,18,9,13,15,19,28,5,3,29,27,8,14,20,21,25,7,30,26,22,23,6,24/E:(3,4)(6,7)(8,9,10,11)(12,13,14,15)(19,20)(21,22)(27,28)(29,30)/rA:32cCCCCCOCCCCCCCCCCCCCCCOOOCNCCCNCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s20;d21;s21;s20;s24;s25;d26;s27;d28;d25s29;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₀N₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	12.2008
Area:	650.609
Solvation:	-4.06447
Coulombic:	-62.3421

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	434.527
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.32
LogP (Chemaxon):	5.02

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