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Chemical ID: 6652240

COc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3

Chemical ID:

6652240

Name [?]:

N-[(4-methoxyphenyl)methyleneamino]-N'-(2-morpholinocarbonylphenyl)-oxamide

SMILES [?]:

COc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)N3CCOCC3

InChi [?]:

InChI=1/C21H22N4O5/c1-29-16-8-6-15(7-9-16)14-22-24-20(27)19(26)23-18-5-3-2-4-17(18)21(28)25-10-12-30-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,26)(H,24,27)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₁H₂₂N₄O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.47225
Area:	634.73
Solvation:	-6.39599
Coulombic:	-76.1089

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	410.423
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	2.52
LogP (Chemaxon):	2.18

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