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Chemical ID: 6452574
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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