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Chemical ID: 6647418

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4

Chemical ID:

6647418

Name [?]:

[4-[[2-(4-phenylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C29H24N2O5/c1-34-25-15-11-24(12-16-25)29(33)36-27-13-7-21(8-14-27)19-30-31-28(32)20-35-26-17-9-23(10-18-26)22-5-3-2-4-6-22/h2-19H,20H2,1H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,34,33,35,32,36,14,16,27,29,5,7,13,17,4,8,26,30,18,23,15,31,28,6,3,25,12,21,9,19,20,22,10,2,24,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36nCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCCCC/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;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₄N₂O₅
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2048
Area:	767.061
Solvation:	-7.9717
Coulombic:	-54.6736

Bond Count [?]

All:	39
Single:	24
Double:	15
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	480.511
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	7.03
LogP (Chemaxon):	5.68

Name Annotations

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

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