Chemical ID: 6452574

CCOc1ccc(cc1C=NNC(=O)COc2cc(c(cc2C(C)C)Br)C)Br
Chemical ID:
6452574
Name [?]:
N-[(5-bromo-2-ethoxy-phenyl)methyleneamino]-2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1C=NNC(=O)COc2cc(c(cc2C(C)C)Br)C)Br
InChi [?]:
InChI=1/C21H24Br2N2O3/c1-5-27-19-7-6-16(22)9-15(19)11-24-25-21(26)12-28-20-8-14(4)18(23)10-17(20)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,24,25,27,2,6,5,18,8,21,10,15,23,19,9,7,22,20,4,17,13,28,26,11,12,14,3,16/E:(2,3)/rA:28nCCOCCCCCCCNNCOCOCCCCCCCCCBrCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s20;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24Br2N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6147
Area:665.756
Solvation:-6.02921
Coulombic:-34.0371
Bond Count [?]
All:29
Single:21
Double:8
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:512.235
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.03
LogP (Chemaxon):6.35

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Descriptor Annotations

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