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Chemical ID: 6620973
Chemical ID:
6620973
Name [?]:
2-allyloxy-N-[(2-allyloxyphenyl)methyleneamino]-5-bromo-benzamide
SMILES [?]:
C=CCOc1ccccc1C=NNC(=O)c2cc(ccc2OCC=C)Br
InChi [?]:
InChI=1/C20H19BrN2O3/c1-3-11-25-18-8-6-5-7-15(18)14-22-23-20(24)17-13-16(21)9-10-19(17)26-12-4-2/h3-10,13-14H,1-2,11-12H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,8,7,9,6,19,20,3,23,17,11,10,18,16,5,21,14,26,12,13,15,4,22/rA:26nCCCOCCCCCCCNNCOCCCCCCOCCCBr/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19BrN2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2164 |
Area: | 606.53 |
Solvation: | -5.94685 |
Coulombic: | -37.0205 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 415.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.85 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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