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Chemical ID: 7468570

Chemical ID:

7468570

Name [?]:

[2-methoxy-4-[(2-methoxybenzoyl)aminoiminomethyl]phenyl] acetate

SMILES [?]:

CC(=O)Oc1ccc(cc1OC)C=NNC(=O)c2ccccc2OC

InChi [?]:

InChI=1/C18H18N2O5/c1-12(21)25-16-9-8-13(10-17(16)24-3)11-19-20-18(22)14-6-4-5-7-15(14)23-2/h4-11H,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,25,12,20,21,19,22,7,6,9,13,2,8,18,23,5,10,16,14,15,3,17,24,11,4/rA:25nCCOOCCCCCCOCCNNCOCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₅
All Atoms:	43
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	6.31619
Area:	569.39
Solvation:	-7.91855
Coulombic:	-49.6743

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	342.346
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.34
LogP (Chemaxon):	2.24

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