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Chemical ID: 6626762
Chemical ID:
6626762
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-2-(2,3-dichlorophenoxy)-acetamide
SMILES [?]:
C=CCOc1ccc(cc1C=NNC(=O)COc2cccc(c2Cl)Cl)Br
InChi [?]:
InChI=1/C18H15BrCl2N2O3/c1-2-8-25-15-7-6-13(19)9-12(15)10-22-23-17(24)11-26-16-5-3-4-14(20)18(16)21/h2-7,9-10H,1,8,11H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,7,6,3,9,11,16,10,8,22,5,18,14,23,26,25,24,12,13,15,4,17/rA:26nCCCOCCCCCCCNNCOCOCCCCCCClClBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrCl2N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16276 |
Area: | 633.603 |
Solvation: | -6.67731 |
Coulombic: | -35.2669 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 458.133 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.25 |
LogP (Chemaxon): | 5.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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