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Chemical ID: 5893032

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)NCC4CCCO4)NC(=O)C5CCC5

Chemical ID:

5893032

Name [?]:

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

SMILES [?]:

COc1ccccc1N2CCN(CC2)c3ccc(cc3C(=O)NCC4CCCO4)NC(=O)C5CCC5

InChi [?]:

InChI=1/C28H36N4O4/c1-35-26-10-3-2-9-25(26)32-15-13-31(14-16-32)24-12-11-21(30-27(33)20-6-4-7-20)18-23(24)28(34)29-19-22-8-5-17-36-22/h2-3,9-12,18,20,22H,4-8,13-17,19H2,1H3,(H,29,34)(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,6,5,35,27,34,36,26,7,4,17,16,11,13,10,14,28,19,24,33,18,25,20,15,8,3,31,21,23,30,12,9,32,22,2,29/E:(6,7)(13,14)(15,16)/rA:36cCOCCCCCCNCCNCCCCCCCCCONCCCCCONCOCCCC/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;s25;s26;s27;s25s28;s18;s30;d31;s31;s33;s34;s33s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₆N₄O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4361
Area:	757.897
Solvation:	-7.51134
Coulombic:	-68.581

Bond Count [?]

All:	40
Single:	32
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	492.61
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.74
LogP (Chemaxon):	3.55

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value