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Chemical ID: 7493531

c1ccc(cc1)CCOC(=O)CCC(=O)NNC(=O)Cc2cccc3c2cccc3

Chemical ID:

7493531

Name [?]:

phenethyl 4-[N'-[2-(1-naphthyl)acetyl]hydrazino]-4-oxo-butanoate

SMILES [?]:

c1ccc(cc1)CCOC(=O)CCC(=O)NNC(=O)Cc2cccc3c2cccc3

InChi [?]:

InChI=1/C24H24N2O4/c27-22(13-14-24(29)30-16-15-18-7-2-1-3-8-18)25-26-23(28)17-20-11-6-10-19-9-4-5-12-21(19)20/h1-12H,13-17H2,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,29,28,23,3,5,30,24,22,27,13,12,7,8,20,4,25,21,26,14,18,10,16,17,15,19,11,9/E:(2,3)(7,8)/rA:30nCCCCCCCCOCOCCCONNCOCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₄
All Atoms:	54
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1844
Area:	681.815
Solvation:	-4.86096
Coulombic:	-54.5025

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	404.458
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.94
LogP (Chemaxon):	3.29

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value