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Chemical ID: 6652514

COc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3

Chemical ID:

6652514

Name [?]:

N-[(2-hydroxy-3-methoxy-phenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide

SMILES [?]:

COc1cccc(c1O)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3

InChi [?]:

InChI=1/C21H22N4O6/c1-30-17-8-4-5-14(18(17)26)13-22-24-20(28)19(27)23-16-7-3-2-6-15(16)21(29)25-9-11-31-12-10-25/h2-8,13,26H,9-12H2,1H3,(H,23,27)(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,21,20,5,6,22,19,4,27,31,28,30,10,7,23,18,3,8,15,13,24,11,17,12,26,9,16,14,25,2,29/E:(9,10)(11,12)/rA:31nCOCCCCCCOCNNCOCONCCCCCCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;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:	C₂₁H₂₂N₄O₆
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	8.74656
Area:	645.711
Solvation:	-7.39623
Coulombic:	-91.9921

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	426.423
H-Bond Donors:	3
H-Bond Acceptors:	10
XLogP:	2.11
LogP (Chemaxon):	1.89

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