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Chemical ID: 6646608

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2)OC)Oc3ccc4ccccc4c3

Chemical ID:

6646608

Name [?]:

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

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2)OC)Oc3ccc4ccccc4c3

InChi [?]:

InChI=1/C28H24N2O5/c1-19(34-26-16-9-21-5-3-4-6-23(21)17-26)27(31)30-29-18-20-7-12-25(13-8-20)35-28(32)22-10-14-24(33-2)15-11-22/h3-19H,1-2H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,24,31,32,30,33,9,13,28,18,22,10,12,19,21,27,35,7,2,8,29,17,34,20,11,26,3,15,6,5,4,16,23,25,14/E:(7,8)(10,11)(12,13)(14,15)/rA:35cCCCONNCCCCCCCOCOCCCCCCOCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s2;s25;s26;d27;s28;s29;d30;s31;d32;d29s33;d26s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄N₂O₅
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2385
Area:	741.242
Solvation:	-7.29255
Coulombic:	-55.1408

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	468.501
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.88
LogP (Chemaxon):	5.53

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