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Chemical ID: 7095066

COc1ccc(cc1)OCC(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)c4ccco4

Chemical ID:

7095066

Name [?]:

N-[4-[4-(2-furylcarbonyl)piperazin-1-yl]phenyl]-2-(4-methoxyphenoxy)-acetamide

SMILES [?]:

COc1ccc(cc1)OCC(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)c4ccco4

InChi [?]:

InChI=1/C24H25N3O5/c1-30-20-8-10-21(11-9-20)32-17-23(28)25-18-4-6-19(7-5-18)26-12-14-27(15-13-26)24(29)22-3-2-16-31-22/h2-11,16H,12-15,17H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,30,29,15,19,16,18,4,8,5,7,21,25,22,24,31,10,14,17,3,6,28,11,26,13,20,23,12,27,2,32,9/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32nCOCCCCCCOCCONCCCCCCNCCNCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;s22;s23;s20s24;s23;d26;s26;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₅
All Atoms:	57
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.59031
Area:	678.326
Solvation:	-7.36785
Coulombic:	-66.2947

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	435.473
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.65
LogP (Chemaxon):	2.67

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

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

Chemical Mix	Source	External ID	Descriptor	Value