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Chemical ID: 6432341

Cc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc5c(c4)OCCO5

Chemical ID:

6432341

Name [?]:

4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(p-tolyl)-5H-pyrrol-2-one

SMILES [?]:

Cc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc5c(c4)OCCO5

InChi [?]:

InChI=1/C26H28N2O6/c1-17-2-4-18(5-3-17)23-22(24(29)19-6-7-20-21(16-19)34-15-14-33-20)25(30)26(31)28(23)9-8-27-10-12-32-13-11-27/h2-7,16,23,30H,8-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,7,4,6,26,27,15,14,17,21,18,20,33,32,30,2,5,25,28,29,9,8,23,10,11,16,13,24,22,12,19,34,31/E:(2,3)(4,5)(10,11)(12,13)/rA:34cCCCCCCCCCCCONCCNCCOCCOCOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s10;s9;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s32;s28s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈N₂O₆
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	10.1576
Area:	694.555
Solvation:	-7.20633
Coulombic:	-71.8719

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	464.51
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.71
LogP (Chemaxon):	0.28

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