Chemical ID: 5795275

c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)Cl)OCc3cccc(c3)Br
Chemical ID:
5795275
Name [?]:
2-[(3-bromophenyl)methoxy]-N-[(3-chlorophenyl)methyleneamino]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NN=Cc2cccc(c2)Cl)OCc3cccc(c3)Br
InChi [?]:
InChI=1/C21H16BrClN2O2/c22-17-7-3-6-16(11-17)14-27-20-10-2-1-9-19(20)21(26)25-24-13-15-5-4-8-18(23)12-15/h1-13H,14H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,14,13,22,24,15,6,3,26,17,11,20,12,21,25,16,5,4,7,27,18,10,9,8,19/rA:27nCCCCCCCONNCCCCCCCClOCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s4;s19;s20;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16BrClN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.233
Area:620.245
Solvation:-5.27317
Coulombic:-28.8233
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:443.721
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.04
LogP (Chemaxon):6.08

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