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Chemical ID: 6629826

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc4ccccc4c3

Chemical ID:

6629826

Name [?]:

[2-ethoxy-4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-ethoxybenzoate

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc4ccccc4c3

InChi [?]:

InChI=1/C30H28N2O6/c1-3-35-25-13-11-23(12-14-25)30(34)38-27-16-9-21(17-28(27)36-4-2)19-31-32-29(33)20-37-26-15-10-22-7-5-6-8-24(22)18-26/h5-19H,3-4,20H2,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,21,2,20,34,35,33,36,15,31,6,8,5,9,30,14,17,38,22,27,16,32,7,37,4,29,13,18,25,10,23,24,26,11,3,19,28,12/E:(11,12)(13,14)/rA:38nCCOCCCCCCCOOCCCCCCOCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s16;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₆
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3193
Area:	807.345
Solvation:	-8.8643
Coulombic:	-61.5461

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	512.553
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	6.85
LogP (Chemaxon):	5.43

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

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

Chemical Mix	Source	External ID	Descriptor	Value