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Chemical ID: 5479098

CC1(C(=O)Nc2ccccc2N1C(=O)COC(=O)c3ccc(cc3)C(=O)C(=O)c4ccccc4)C

Chemical ID:

5479098

Name [?]:

(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)carbonylmethyl 4-(2-oxo-2-phenyl-acetyl)benzoate

SMILES [?]:

CC1(C(=O)Nc2ccccc2N1C(=O)COC(=O)c3ccc(cc3)C(=O)C(=O)c4ccccc4)C

InChi [?]:

InChI=1/C27H22N2O6/c1-27(2)26(34)28-20-10-6-7-11-21(20)29(27)22(30)16-35-25(33)19-14-12-18(13-15-19)24(32)23(31)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,28,34)

InChi Info:

AuxInfo=1/1/N:1,35,32,31,33,8,9,30,34,7,10,21,23,20,24,15,29,22,19,6,11,13,27,25,17,3,2,5,12,14,28,26,18,4,16/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:35nCCCONCCCCCCNCOCOCOCCCCCCCOCOCCCCCCC/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;d25;s25;d27;s27;s29;d30;s31;d32;d29s33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂N₂O₆
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6099
Area:	699.621
Solvation:	-4.88066
Coulombic:	-78.3306

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	470.473
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.36
LogP (Chemaxon):	3.65

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