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Chemical ID: 6514251

CC(c1ccccc1)NC(=O)COc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc4c3cccc4

Chemical ID:

6514251

Name [?]:

N'-(1-naphthyl)-N-[[4-(1-phenylethylcarbamoylmethoxy)phenyl]methyleneamino]oxamide

SMILES [?]:

CC(c1ccccc1)NC(=O)COc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc4c3cccc4

InChi [?]:

InChI=1/C29H26N4O4/c1-20(22-8-3-2-4-9-22)31-27(34)19-37-24-16-14-21(15-17-24)18-30-33-29(36)28(35)32-26-13-7-11-23-10-5-6-12-25(23)26/h2-18,20H,19H2,1H3,(H,31,34)(H,32,35)(H,33,36)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,36,35,30,4,8,37,31,34,29,16,18,15,19,20,12,2,17,3,32,14,33,28,10,25,23,21,9,27,22,11,26,24,13/E:(3,4)(8,9)(14,15)(16,17)/rA:37cCCCCCCCCNCOCOCCCCCCCNNCOCONCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;w20;s21;s22;d23;s23;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;d34;s35;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆N₄O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	13.1743
Area:	777.788
Solvation:	-6.27035
Coulombic:	-75.1816

Bond Count [?]

All:	40
Single:	25
Double:	15
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	494.541
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	5.61
LogP (Chemaxon):	4.84

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value