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Chemical ID: 6406609
Chemical ID:
6406609
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-4-bromo-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccccc2C=NNC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C21H17BrN2O2/c22-19-12-10-17(11-13-19)21(25)24-23-14-18-8-4-5-9-20(18)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,21,25,22,24,15,7,4,20,14,23,9,18,26,16,17,19,8/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCOCCCCCCCNNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17BrN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7496 |
Area: | 595.913 |
Solvation: | -4.14824 |
Coulombic: | -30.6042 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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