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Chemical ID: 6723355

Chemical ID:

6723355

Name [?]:

2-acetamido-N-[(3-allyl-2-hydroxy-phenyl)methyleneamino]benzamide

SMILES [?]:

CC(=O)Nc1ccccc1C(=O)NN=Cc2cccc(c2O)CC=C

InChi [?]:

InChI=1/C19H19N3O3/c1-3-7-14-8-6-9-15(18(14)24)12-20-22-19(25)16-10-4-5-11-17(16)21-13(2)23/h3-6,8-12,24H,1,7H2,2H3,(H,21,23)(H,22,25)

InChi Info:

AuxInfo=1/1/N:25,1,24,8,7,18,23,19,17,9,6,15,2,20,16,10,5,21,11,14,4,13,3,22,12/rA:25nCCONCCCCCCCONNCCCCCCCOCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s20;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃O₃
All Atoms:	44
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.33628
Area:	555.718
Solvation:	-4.55667
Coulombic:	-57.1274

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	337.373
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	3.93
LogP (Chemaxon):	3.98

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