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Chemical ID: 6652361

CCOc1ccccc1C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3

Chemical ID:

6652361

Name [?]:

N-[(2-ethoxyphenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide

SMILES [?]:

CCOc1ccccc1C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3

InChi [?]:

InChI=1/C22H24N4O5/c1-2-31-19-10-6-3-7-16(19)15-23-25-21(28)20(27)24-18-9-5-4-8-17(18)22(29)26-11-13-30-14-12-26/h3-10,15H,2,11-14H2,1H3,(H,24,27)(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,2,7,21,20,6,8,22,19,5,27,31,28,30,10,9,23,18,4,15,13,24,11,17,12,26,16,14,25,29,3/E:(11,12)(13,14)/rA:31nCCOCCCCCCCNNCOCONCCCCCCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₄O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4828
Area:	659.982
Solvation:	-6.01673
Coulombic:	-77.1757

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	424.45
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	2.94
LogP (Chemaxon):	2.52

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