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Chemical ID: 7468021

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2c3ccccc3ccc2OC

Chemical ID:

7468021

Name [?]:

2-(2-bromo-4-tert-butyl-phenoxy)-N-[(2-methoxy-1-naphthyl)methyleneamino]acetamide

SMILES [?]:

CC(C)(C)c1ccc(c(c1)Br)OCC(=O)NN=Cc2c3ccccc3ccc2OC

InChi [?]:

InChI=1/C24H25BrN2O3/c1-24(2,3)17-10-12-22(20(25)13-17)30-15-23(28)27-26-14-19-18-8-6-5-7-16(18)9-11-21(19)29-4/h5-14H,15H2,1-4H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,3,4,30,23,22,24,21,26,6,27,7,10,18,13,25,5,20,19,9,28,8,14,2,11,17,16,15,29,12/E:(1,2,3)/rA:30nCCCCCCCCCCBrOCCONNCCCCCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;s13;d14;s14;s16;w17;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;d19s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅BrN₂O₃
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	8.51913
Area:	664.547
Solvation:	-8.09454
Coulombic:	-32.9385

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	469.371
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.47
LogP (Chemaxon):	6.19

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