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Chemical ID: 6611342

Chemical ID:

6611342

Name [?]:

N-[(3,4-dimethoxyphenyl)methyleneamino]-N'-phenyl-oxamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)C(=O)Nc2ccccc2

InChi [?]:

InChI=1/C17H17N3O4/c1-23-14-9-8-12(10-15(14)24-2)11-18-20-17(22)16(21)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,10,22,21,23,20,24,5,4,7,11,6,19,3,8,16,14,12,18,13,17,15,2,9/E:(4,5)(6,7)/rA:24nCOCCCCCCOCCNNCOCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.3074
Area:	541.256
Solvation:	-6.22399
Coulombic:	-58.0302

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	327.335
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.59
LogP (Chemaxon):	2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value