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Chemical ID: 4136946

Chemical ID:

4136946

Name [?]:

N-[(3-allyloxyphenyl)methyleneamino]-N'-phenyl-oxamide

SMILES [?]:

C=CCOc1cccc(c1)C=NNC(=O)C(=O)Nc2ccccc2

InChi [?]:

InChI=1/C18H17N3O3/c1-2-11-24-16-10-6-7-14(12-16)13-19-21-18(23)17(22)20-15-8-4-3-5-9-15/h2-10,12-13H,1,11H2,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,2,22,21,23,7,8,20,24,6,3,10,11,9,19,5,16,14,12,18,13,17,15,4/E:(4,5)(8,9)/rA:24nCCCOCCCCCCCNNCOCONCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.97773
Area:	555.484
Solvation:	-3.90936
Coulombic:	-54.0944

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	323.346
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.55
LogP (Chemaxon):	3.47

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value