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Chemical ID: 5892999

CCC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCN(CC3)c4ccccc4OC

Chemical ID:

5892999

Name [?]:

2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-propanoylamino-N-(tetrahydrofuran-2-ylmethyl)benzamide

SMILES [?]:

CCC(=O)Nc1ccc(c(c1)C(=O)NCC2CCCO2)N3CCN(CC3)c4ccccc4OC

InChi [?]:

InChI=1/C26H34N4O4/c1-3-25(31)28-19-10-11-22(21(17-19)26(32)27-18-20-7-6-16-34-20)29-12-14-30(15-13-29)23-8-4-5-9-24(23)33-2/h4-5,8-11,17,20H,3,6-7,12-16,18H2,1-2H3,(H,27,32)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,34,2,29,30,18,17,28,31,7,8,22,26,23,25,19,11,15,6,16,10,9,27,32,3,12,14,5,21,24,4,13,33,20/E:(12,13)(14,15)/rA:34cCCCONCCCCCCCONCCCCCONCCNCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;s16;s17;s18;s16s19;s9;s21;s22;s23;s24;s21s25;s24;s27;d28;s29;d30;d27s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5664
Area:	727.998
Solvation:	-7.63357
Coulombic:	-67.8242

Bond Count [?]

All:	37
Single:	29
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	466.573
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.22
LogP (Chemaxon):	3.1

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