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Chemical ID: 6647051

Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccccc3

Chemical ID:

6647051

Name [?]:

N'-[(2-benzyloxyphenyl)methyleneamino]-N-(m-tolyl)oxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccccc3

InChi [?]:

InChI=1/C23H21N3O3/c1-17-8-7-12-20(14-17)25-22(27)23(28)26-24-15-19-11-5-6-13-21(19)29-16-18-9-3-2-4-10-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,18,19,4,3,25,29,17,5,20,7,15,23,2,24,16,6,21,9,11,14,8,13,10,12,22/E:(3,4)(9,10)/rA:29nCCCCCCCNCOCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁N₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9699
Area:	639.473
Solvation:	-4.01695
Coulombic:	-54.6019

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	387.431
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.09
LogP (Chemaxon):	4.97

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