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Chemical ID: 6644025

c1ccc2c(c1)cccc2OCC(=O)NN=Cc3ccc(cc3)OC(=O)c4ccc(cc4)Cl

Chemical ID:

6644025

Name [?]:

[4-[[2-(1-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 4-chlorobenzoate

SMILES [?]:

c1ccc2c(c1)cccc2OCC(=O)NN=Cc3ccc(cc3)OC(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C26H19ClN2O4/c27-21-12-10-20(11-13-21)26(31)33-22-14-8-18(9-15-22)16-28-29-25(30)17-32-24-7-3-5-19-4-1-2-6-23(19)24/h1-16H,17H2,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,2,8,6,7,3,9,19,23,28,32,29,31,20,22,17,12,18,5,27,30,21,4,10,13,25,33,16,15,14,26,11,24/E:(8,9)(10,11)(12,13)(14,15)/rA:33nCCCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₉ClN₂O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5461
Area:	716.802
Solvation:	-6.37397
Coulombic:	-48.2835

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	458.893
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.07
LogP (Chemaxon):	5.77

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