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Chemical ID: 5764502

c1ccc2cc(ccc2c1)NCC(=O)NN=Cc3ccccc3OCc4ccc(cc4)Br

Chemical ID:

5764502

Name [?]:

N-[[2-[(4-bromophenyl)methoxy]phenyl]methyleneamino]-2-(2-naphthylamino)acetamide

SMILES [?]:

c1ccc2cc(ccc2c1)NCC(=O)NN=Cc3ccccc3OCc4ccc(cc4)Br

InChi [?]:

InChI=1/C26H22BrN3O2/c27-23-12-9-19(10-13-23)18-32-25-8-4-3-7-22(25)16-29-30-26(31)17-28-24-14-11-20-5-1-2-6-21(20)15-24/h1-16,28H,17-18H2,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,20,21,10,3,19,22,27,31,8,28,30,7,5,17,12,25,26,9,4,18,29,6,23,13,32,11,16,15,14,24/E:(9,10)(12,13)/rA:32nCCCCCCCCCCNCCONNCCCCCCCOCCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂BrN₃O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2654
Area:	706.802
Solvation:	-5.40468
Coulombic:	-41.1287

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	488.376
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	7.1
LogP (Chemaxon):	6.16

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