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Chemical ID: 5895900

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)NC4CC4)NC(=O)C5CCC5

Chemical ID:

5895900

Name [?]:

5-cyclobutylcarbonylamino-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-benzamide

SMILES [?]:

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)NC4CC4)NC(=O)C5CCC5

InChi [?]:

InChI=1/C26H32N4O3/c1-33-24-8-3-2-7-23(24)30-15-13-29(14-16-30)22-12-11-20(28-25(31)18-5-4-6-18)17-21(22)26(32)27-19-9-10-19/h2-3,7-8,11-12,17-19H,4-6,9-10,13-16H2,1H3,(H,27,32)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,6,5,32,31,33,7,4,25,26,17,16,11,13,10,14,19,30,24,18,20,15,8,3,28,21,23,27,12,9,29,22,2/E:(5,6)(9,10)(13,14)(15,16)/rA:33nCOCCCCCCNCCNCCCCCCCCCONCCCNCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;s24s25;s18;s27;d28;s28;s30;s31;s30s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₂N₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3465
Area:	702.623
Solvation:	-6.21906
Coulombic:	-60.6487

Bond Count [?]

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

Chemical Properties

Molecular Weight:	448.557
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.93
LogP (Chemaxon):	3.72

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