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Chemical ID: 6624627

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3

Chemical ID:

6624627

Name [?]:

[4-[(2-phenoxyacetyl)aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3

InChi [?]:

InChI=1/C23H20N2O5/c1-28-19-13-9-18(10-14-19)23(27)30-21-11-7-17(8-12-21)15-24-25-22(26)16-29-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,26,30,14,16,5,7,13,17,4,8,18,23,15,6,3,25,12,21,9,19,20,22,10,2,24,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCOCCCCCCCOOCCCCCCCNNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₂O₅
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.05419
Area:	664.805
Solvation:	-7.56595
Coulombic:	-53.3328

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	404.415
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.09
LogP (Chemaxon):	3.99

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value