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Chemical ID: 6445906
Chemical ID:
6445906
Name [?]:
N-[(2-allyloxy-5-bromo-phenyl)methyleneamino]-5-bromo-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)NN=Cc2cc(ccc2OCC=C)Br)Br
InChi [?]:
InChI=1/C18H16Br2N2O3/c1-3-8-25-16-6-4-13(19)9-12(16)11-21-22-18(23)15-10-14(20)5-7-17(15)24-2/h3-7,9-11H,1,8H2,2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:23,1,22,17,5,18,4,21,15,7,13,14,16,6,8,19,3,9,24,25,12,11,10,2,20/rA:25nCOCCCCCCCONNCCCCCCCOCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;d22;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16Br2N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20225 |
Area: | 567.744 |
Solvation: | -5.99135 |
Coulombic: | -34.5811 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 468.139 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.03 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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