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Chemical ID: 4136547

c1ccc2c(c1)cccc2CC(=O)NN=Cc3ccccc3OC(=O)c4ccc(cc4)Cl

Chemical ID:

4136547

Name [?]:

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

SMILES [?]:

c1ccc2c(c1)cccc2CC(=O)NN=Cc3ccccc3OC(=O)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C26H19ClN2O3/c27-22-14-12-19(13-15-22)26(31)32-24-11-4-2-7-21(24)17-28-29-25(30)16-20-9-5-8-18-6-1-3-10-23(18)20/h1-15,17H,16H2,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,19,2,20,8,6,18,7,9,3,21,27,31,28,30,11,16,5,26,10,17,29,4,22,12,24,32,15,14,13,25,23/E:(12,13)(14,15)/rA:32nCCCCCCCCCCCCONNCCCCCCCOCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₉ClN₂O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6066
Area:	682.009
Solvation:	-4.4436
Coulombic:	-41.4569

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	442.893
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.2
LogP (Chemaxon):	6.11

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