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Chemical ID: 7276139

CC1(C(=O)Nc2ccccc2N1C(=O)COC(=O)c3ccc(cc3)OCC4CCCO4)C

Chemical ID:

7276139

Name [?]:

(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl 4-(tetrahydrofuran-2-ylmethoxy)benzoate

SMILES [?]:

CC1(C(=O)Nc2ccccc2N1C(=O)COC(=O)c3ccc(cc3)OCC4CCCO4)C

InChi [?]:

InChI=1/C24H26N2O6/c1-24(2)23(29)25-19-7-3-4-8-20(19)26(24)21(27)15-32-22(28)16-9-11-17(12-10-16)31-14-18-6-5-13-30-18/h3-4,7-12,18H,5-6,13-15H2,1-2H3,(H,25,29)

InChi Info:

AuxInfo=1/1/N:1,32,8,9,29,28,7,10,20,24,21,23,30,26,15,19,22,27,6,11,13,17,3,2,5,12,14,18,4,31,25,16/E:(1,2)(9,10)(11,12)/rA:32cCCCONCCCCCCNCOCOCOCCCCCCOCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;s28;s29;s27s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₂O₆
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	9.76003
Area:	662.909
Solvation:	-6.8127
Coulombic:	-72.5464

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	438.473
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.46
LogP (Chemaxon):	2.2

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

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Chemical Mix	Source	External ID	Descriptor	Value