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Chemical ID: 5973038

Cc1ccc2c(c1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC=Cc4ccccc4

Chemical ID:

5973038

Name [?]:

2-[3-(4-cinnamylpiperazin-1-yl)carbonylpropyl]-8-methyl-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one

SMILES [?]:

Cc1ccc2c(c1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC=Cc4ccccc4

InChi [?]:

InChI=1/C26H31N3O3/c1-21-11-12-23-24(19-21)32-20-26(31)29(23)14-6-10-25(30)28-17-15-27(16-18-28)13-5-9-22-7-3-2-4-8-22/h2-5,7-9,11-12,19H,6,10,13-18,20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,30,29,31,25,14,28,32,26,15,3,4,24,13,20,22,19,23,7,9,2,27,5,6,16,10,21,18,12,17,11,8/E:(3,4)(7,8)(15,16)(17,18)/rA:32nCCCCCCCOCCONCCCCONCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;s24;w25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₁N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6134
Area:	692.075
Solvation:	-4.68847
Coulombic:	-47.3191

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	433.543
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	3.02
LogP (Chemaxon):	2.78

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