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Chemical ID: 5890051

CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C4CCCC4

Chemical ID:

5890051

Name [?]:

5-cyclopentylcarbonylamino-N-isobutyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide

SMILES [?]:

CC(C)CNC(=O)c1cc(ccc1N2CCN(CC2)c3ccccc3OC)NC(=O)C4CCCC4

InChi [?]:

InChI=1/C28H38N4O3/c1-20(2)19-29-28(34)23-18-22(30-27(33)21-8-4-5-9-21)12-13-24(23)31-14-16-32(17-15-31)25-10-6-7-11-26(25)35-3/h6-7,10-13,18,20-21H,4-5,8-9,14-17,19H2,1-3H3,(H,29,34)(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,3,27,33,34,22,23,32,35,21,24,11,12,15,19,16,18,9,4,2,31,10,8,13,20,25,29,6,5,28,14,17,30,7,26/E:(1,2)(4,5)(8,9)(14,15)(16,17)/rA:35nCCCCNCOCCCCCCNCCNCCCCCCCCOCNCOCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;s26;s10;s28;d29;s29;s31;s32;s33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₈N₄O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6288
Area:	748.497
Solvation:	-6.08366
Coulombic:	-61.8522

Bond Count [?]

All:	38
Single:	30
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	478.626
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.04
LogP (Chemaxon):	4.93

Name Annotations

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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