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Chemical ID: 6445761

CCOc1cc(ccc1OCc2ccc(cc2)C)C=NNC(=O)c3cc(ccc3OC)Br

Chemical ID:

6445761

Name [?]:

5-bromo-N-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyleneamino]-2-methoxy-benzamide

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)C)C=NNC(=O)c3cc(ccc3OC)Br

InChi [?]:

InChI=1/C25H25BrN2O4/c1-4-31-24-13-19(9-11-23(24)32-16-18-7-5-17(2)6-8-18)15-27-28-25(29)21-14-20(26)10-12-22(21)30-3/h5-15H,4,16H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,18,31,2,14,16,13,17,7,27,8,28,5,25,19,11,15,12,6,26,24,29,9,4,22,32,20,21,23,30,3,10/E:(5,6)(7,8)/rA:32nCCOCCCCCCOCCCCCCCCCNNCOCCCCCCOCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅BrN₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	8.90837
Area:	709.16
Solvation:	-8.82063
Coulombic:	-40.4936

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	497.381
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.84
LogP (Chemaxon):	5.86

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