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Chemical ID: 6433313
Chemical ID:
6433313
Name [?]:
4-[(3-bromophenyl)methoxy]-N-[(5-bromo-2-propoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
CCCOc1ccc(cc1C=NNC(=O)c2ccc(cc2)OCc3cccc(c3)Br)Br
InChi [?]:
InChI=1/C24H22Br2N2O3/c1-2-12-30-23-11-8-21(26)14-19(23)15-27-28-24(29)18-6-9-22(10-7-18)31-16-17-4-3-5-20(25)13-17/h3-11,13-15H,2,12,16H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,17,21,7,18,20,6,3,29,9,11,23,24,16,10,28,8,19,5,14,30,31,12,13,15,4,22/E:(6,7)(9,10)/rA:31nCCCOCCCCCCCNNCOCCCCCCOCCCCCCCBrBr/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s28;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22Br2N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3243 |
Area: | 703.398 |
Solvation: | -5.26063 |
Coulombic: | -36.886 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 546.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.91 |
LogP (Chemaxon): | 6.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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