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Chemical ID: 6652502

COc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3)O

Chemical ID:

6652502

Name [?]:

N-[(2-hydroxy-5-methoxy-phenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide

SMILES [?]:

COc1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3)O

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,4,5,26,30,27,29,8,9,7,3,22,17,6,14,12,23,10,16,11,25,31,15,13,24,2,28/E:(8,9)(10,11)/rA:31nCOCCCCCCCNNCOCONCCCCCCCONCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;s27;s28;s25s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₂N₄O₆
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	8.85568
Area:	643.347
Solvation:	-7.228
Coulombic:	-91.095

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

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