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Chemical ID: 6650262

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3

Chemical ID:

6650262

Name [?]:

[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3

InChi [?]:

InChI=1/C28H22N2O4/c31-27(20-33-26-16-13-23-8-4-5-9-24(23)18-26)30-29-19-22-10-14-25(15-11-22)34-28(32)17-12-21-6-2-1-3-7-21/h1-19H,20H2,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,30,31,3,5,29,32,14,16,7,27,13,17,26,8,34,18,23,4,15,28,33,12,25,21,9,19,20,22,10,24,11/E:(2,3)(6,7)(10,11)(14,15)/rA:34nCCCCCCCCCOOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;s28;d29;s30;d31;d28s32;d25s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₂N₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6854
Area:	695.859
Solvation:	-6.71108
Coulombic:	-47.4707

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	10
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	450.485
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.72
LogP (Chemaxon):	5.84

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