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Chemical ID: 7022341

COc1ccc(cc1)C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N3CCCCC3

Chemical ID:

7022341

Name [?]:

N-[5-[(4-methoxyphenyl)methyleneaminocarbamoyl]-5-(1-piperidyl)pentyl]benzamide

SMILES [?]:

COc1ccc(cc1)C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N3CCCCC3

InChi [?]:

InChI=1/C26H34N4O3/c1-33-23-15-13-21(14-16-23)20-28-29-26(32)24(30-18-8-3-9-19-30)12-6-7-17-27-25(31)22-10-4-2-5-11-22/h2,4-5,10-11,13-16,20,24H,3,6-9,12,17-19H2,1H3,(H,27,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,25,31,24,26,16,17,30,32,23,27,15,5,7,4,8,18,29,33,9,6,22,3,14,20,12,19,10,11,28,21,13,2/E:(4,5)(8,9)(10,11)(13,14)(15,16)(18,19)/rA:33cCOCCCCCCCNNCOCCCCCNCOCCCCCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s14;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₄N₄O₃
All Atoms:	67
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1456
Area:	756.971
Solvation:	-6.77865
Coulombic:	-53.8924

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	450.573
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.97
LogP (Chemaxon):	3.55

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