Chemical ID: 6410240

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)Br
Chemical ID:
6410240
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-bromophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)Br
InChi [?]:
InChI=1/C23H21BrN2O3/c1-17(29-22-13-9-20(24)10-14-22)23(27)26-25-15-18-7-11-21(12-8-18)28-16-19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,9,13,25,27,10,12,24,28,7,15,2,8,16,26,11,23,3,29,6,5,4,14,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCONNCCCCCCCOCCCCCCCOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21BrN2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.1963
Area:666.156
Solvation:-6.45762
Coulombic:-36.1749
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:6.62
LogP (Chemaxon):5.87

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