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Chemical ID: 5766485

Chemical ID:

5766485

Name [?]:

N-(3-benzo[1,3]dioxol-5-ylprop-2-enylideneamino)-2-(o-tolylamino)acetamide

SMILES [?]:

Cc1ccccc1NCC(=O)NN=CC=Cc2ccc3c(c2)OCO3

InChi [?]:

InChI=1/C19H19N3O3/c1-14-5-2-3-7-16(14)20-12-19(23)22-21-10-4-6-15-8-9-17-18(11-15)25-13-24-17/h2-11,20H,12-13H2,1H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,4,5,15,3,16,6,18,19,14,22,9,24,2,17,7,20,21,10,8,13,12,11,25,23/rA:25nCCCCCCCNCCONNCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.79594
Area:	575.657
Solvation:	-5.59548
Coulombic:	-47.0885

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	7
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	337.373
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.66
LogP (Chemaxon):	3.01

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