Chemical ID: 5798849

CCOc1ccccc1C=NNC(=O)COc2cc(c(cc2C(C)C)Br)C
Chemical ID:
5798849
Name [?]:
2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(2-ethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)COc2cc(c(cc2C(C)C)Br)C
InChi [?]:
InChI=1/C21H25BrN2O3/c1-5-26-19-9-7-6-8-16(19)12-23-24-21(25)13-27-20-10-15(4)18(22)11-17(20)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,24,25,27,2,7,6,8,5,18,21,10,15,23,19,9,22,20,4,17,13,26,11,12,14,3,16/E:(2,3)/rA:27nCCOCCCCCCCNNCOCOCCCCCCCCCBrC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25BrN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.89351
Area:638.543
Solvation:-6.07007
Coulombic:-34.5176
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:433.339
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.23
LogP (Chemaxon):5.56

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