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Chemical ID: 7252406

CCc1c(nc2cc(ccc2n1)C(=O)Nc3cc(c(cc3OCC)N4CCOCC4)OCC)CC

Chemical ID:

7252406

Name [?]:

N-(2,5-diethoxy-4-morpholino-phenyl)-2,3-diethyl-quinoxaline-6-carboxamide

SMILES [?]:

CCc1c(nc2cc(ccc2n1)C(=O)Nc3cc(c(cc3OCC)N4CCOCC4)OCC)CC

InChi [?]:

InChI=1/C27H34N4O4/c1-5-19-20(6-2)29-22-15-18(9-10-21(22)28-19)27(32)30-23-16-26(35-8-4)24(17-25(23)34-7-3)31-11-13-33-14-12-31/h9-10,15-17H,5-8,11-14H2,1-4H3,(H,30,32)

InChi Info:

AuxInfo=1/1/N:1,35,24,33,2,34,23,32,9,10,26,30,27,29,7,17,20,8,3,4,11,6,16,19,21,18,13,12,5,15,25,14,28,22,31/E:(11,12)(13,14)/rA:35nCCCCNCCCCCCNCONCCCCCCOCCNCCOCCOCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s19;s25;s26;s27;s28;s25s29;s18;s31;s32;s4;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₄N₄O₄
All Atoms:	69
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1428
Area:	742.724
Solvation:	-6.42533
Coulombic:	-60.6947

Bond Count [?]

All:	38
Single:	29
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	478.583
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.04
LogP (Chemaxon):	3.98

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value