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Chemical ID: 6632060

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

Chemical ID:

6632060

Name [?]:

[4-[2-(2-naphthyloxy)propanoylaminoiminomethyl]phenyl] 4-propoxybenzoate

SMILES [?]:

CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C30H28N2O5/c1-3-18-35-26-15-11-24(12-16-26)30(34)37-27-13-8-22(9-14-27)20-31-32-29(33)21(2)36-28-17-10-23-6-4-5-7-25(23)19-28/h4-17,19-21H,3,18H2,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,26,2,33,34,32,35,16,18,30,7,9,15,19,6,10,29,3,37,20,25,17,31,8,36,5,14,28,23,11,21,22,24,12,4,27,13/E:(8,9)(11,12)(13,14)(15,16)/rA:37cCCCOCCCCCCCOOCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;s25;s25;s27;s28;d29;s30;s31;d32;s33;d34;d31s35;d28s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₈N₂O₅
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5611
Area:	784.953
Solvation:	-7.06274
Coulombic:	-55.9305

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	496.554
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	7.67
LogP (Chemaxon):	6.34

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