Chemical ID: 6410300

CCOc1ccccc1C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
Chemical ID:
6410300
Name [?]:
N-[[2-[(3-bromophenyl)methoxy]phenyl]methyleneamino]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)NN=Cc2ccccc2OCc3cccc(c3)Br
InChi [?]:
InChI=1/C23H21BrN2O3/c1-2-28-22-13-6-4-11-20(22)23(27)26-25-15-18-9-3-5-12-21(18)29-16-17-8-7-10-19(24)14-17/h3-15H,2,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,17,7,18,6,25,24,16,26,8,19,5,28,14,22,23,15,27,9,20,4,10,29,13,12,11,3,21/rA:29nCCOCCCCCCCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21BrN2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.94366
Area:647.166
Solvation:-6.23549
Coulombic:-35.9198
Bond Count [?]
All:31
Single:20
Double:11
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:453.329
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.75
LogP (Chemaxon):5.65

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